(2R,3S)-2-[(1R)-1-[3,5-双(三氟甲基)苯基)乙氧基]-3-(4-氟苯基)吗啉 | 171338-27-5
(2R,3S)-2-[(1R)-1-[3,5-双(三氟甲基)苯基)乙氧基]-3-(4-氟苯基)吗啉
2-(R)-1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy-3-(S)-fluorophenylmorpholineAprepitant-M2
171338-27-5
C20H18NO2F7
437.35122
名称和标识符
MDL |
MFCD09952149 |
InChIKey |
AFBDSAJOMZYQAI-CNOZUTPLSA-N |
Inchi |
InChI=1S/C20H18F7NO2/c1-11(13-8-14(19(22,23)24)10-15(9-13)20(25,26)27)30-18-17(28-6-7-29-18)12-2-4-16(21)5-3-12/h2-5,8-11,17-18,28H,6-7H2,1H3/t11-,17+,18-/m1/s1 |
SMILES |
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@H](C3=CC=C(C=C3)F)NCCO2 |
别名信息
- 中文别名 -
- (2R,3S)-2-[(1R)-1-[3,5-双(三氟甲基)苯基)乙氧基]-3-(4-氟苯基)吗啉
- (2R,3S)-2-((1R)-1-(3,5-双(三氟甲基)苯基)乙氧基)-3-(4-氟苯基)吗啉
- 福沙吡坦杂质D
- 福沙匹坦杂质D
- 福沙匹坦中间体4
- 英文别名 -
- (2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine
- 2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine
- (2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)-ethoxy)-3-(4-fluorophenyl)morpholine
- (2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(4-fluorophenyl)morpholine
- (2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
- 2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine [Aprepitant-M2]
- 2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine
[Aprepitant-M2]
- Aprepitant dealkyl
- Aprepitant dealkyl-d4
- (2R,3S)-2-[(1R)-1-(3,5-bis-trifluoro-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine
- 2-(R)-(1-(R)-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(S)-(4-fluoro)phenyl-morpholine
- 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-(2R,3S)-morpholine
- ANW-62261
- BCP9000960
- BCPP000158
- Fosaprepitant Impurity D
- (2R, 3S)-2-(1R)-1-3,5-Bis(trifluoroMethyl) phenyl)
- (2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl]ethoxy]-3-(4-fluorophenyl)morpholine
- (2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(3-fluorophenyl)morpholine
- (2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(4-fluorophenyl)-morpholine
- Morpholine,2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-, (2R,3S)-
- Morpholine,2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-, [2R-[2a(R*),3a]]-
- [Aprepitant-M2]
- (2R,3S)-2-((R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-ETHOXY)-3-(4-FLUOROPHENYL)MORPHOLINE
- UNII-EA5SX368WV
- J-010710
- (2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl) morpholine
- 2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine[Aprepitant-M2]
- SCHEMBL264332
- A811318
- DTXSID00435818
- 170729-79-0
- 171338-27-5
- Q27277068
- NS00116503
- 2-((1R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl) morpholine, (2R,3S)-
- (2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholine
- Morpholine, 2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-, (2R,3S)-
- AKOS015908996
- AC-23962
- (2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
- EA5SX368WV
- (2R,3S)-2-((R)-1-(3,5-bis(trifluoroMethyl)phenyl)ethoxy)-3-(4-fluorophenyl)Morpholine
物化性质
实验特性
LogP |
5.99300 |
PSA |
30.49000 |
沸点 |
387.856°C at 760 mmHg |
熔点 |
NA |
计算特性
精确分子量 |
437.12300 |
氢键供体数量 |
1 |
氢键受体数量 |
3 |
可旋转化学键数量 |
6 |
同位素质量 |
437.12257595g/mol |
重原子数量 |
30 |
复杂度 |
526 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
3 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
4.7 |
拓扑分子极性表面积 |
30.5Ų |