甲烷磺酰胺,N-[4-(4-氟苯基)-6-(1-甲基乙基)-5-[(1E)-3-氧代-1-丙烯-1-基]-2-嘧啶]-N-甲基- | 890028-66-7
甲烷磺酰胺,N-[4-(4-氟苯基)-6-(1-甲基乙基)-5-[(1E)-3-氧代-1-丙烯-1-基]-2-嘧啶]-N-甲基-
N-4-(4-Fluorophenyl)-6-(1-methylethyl)-5-(1E)-3-oxo-1-propenyl-2-pyrimidinyl-N-methyl-methanesulfonamide
890028-66-7
C18H20N3O3FS
377.4331
名称和标识符
InChIKey |
ZPOOWKOQKFRKJB-AATRIKPKSA-N |
Inchi |
InChI=1S/C18H20FN3O3S/c1-12(2)16-15(6-5-11-23)17(13-7-9-14(19)10-8-13)21-18(20-16)22(3)26(4,24)25/h5-12H,1-4H3/b6-5+ |
SMILES |
CC(C)C1=NC(=NC(=C1C=CC=O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C |
别名信息
- 中文别名 -
- 4-(4-氟苯基)-6-异丙基-2-(N-甲基-N—甲磺酰氨基)嘧啶-5-丙烯醛
- 甲烷磺酰胺,N-[4-(4-氟苯基)-6-(1-甲基乙基)-5-[(1E)-3-氧代-1-丙烯-1-基]-2-嘧啶]-N-甲基-
- 英文别名 -
- N-[4-(4-Fluorophenyl)-6-(1-methylethyl)-5-[(1E)-3-oxo-1-propenyl]-2-pyrimidinyl]-N-methyl-methanesulfonamide
- N-[4-(4-Fluorophenyl)-6-(1-methylethyl)-5-[(1E)-3-oxo-1-propenyl]-2-pyrimidinyl]-N-methyl-methanesul
- N-[4-(4-fluorophenyl)-5-[(E)-3-oxoprop-1-enyl]-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
- N-[4-(4-fluorophenyl)-6-(1-methylethyl)-5-[(1E)-3-oxo-1-propen-1-yl]-2-pyrimidinyl]-N-methylMethanesulfonamide
- (2E)-3-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)pyrimidin-5-yl]-propenal
- (2E)-3-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}propenal
- N-[4-(4-Fluorophenyl)-6-isopropyl-5-[(1E)-3-oxo-1-propenyl]-2-pyrimidinyl]-N-methyl-methanesulfonamide
- (2e)-3-{4-(4-flurophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-propenal
- (2E)-3-{4-(4-flurophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}propenal
- 890028-66-7
- N-[4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-5-[(1E)-3-OXO-1-PROPEN-1-YL]-2-PYRIMIDINYL]-N-METHYLMETHANESULFONAMIDE
- AC-30582
- SCHEMBL697202
- (E)-N-(4-(4-Fluorophenyl)-6-isopropyl-5-(3-oxoprop-1-en-1-yl)pyrimidin-2-yl)-N-methylmethanesulfonamide
- CS-0165299
- DTXSID80468826
- ZPOOWKOQKFRKJB-AATRIKPKSA-N
- SCHEMBL697201
- (E)-N-(4-(4-fluorophenyl)-6-isopropyl-5-(3-oxoprop-1-en-1-yl)pyrimidin-2-yl)-N-methylmethanesulfonamide? (Rosuvastatin Impurity pound(c)
- trans-N-(4-(4-fluorophenyl)-6-isopropyl-5-(3-oxoprop-1-enyl)pyrimidin-2-yl)-N-methylmethanesulfonamide
- AKOS032949607
- 3-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)pyrimidin-5-yl]-(2E)-propenal
物化性质
实验特性
LogP |
4.09480 |
PSA |
88.61000 |
计算特性
精确分子量 |
377.12100 |
氢键供体数量 |
0 |
氢键受体数量 |
7 |
可旋转化学键数量 |
6 |
同位素质量 |
377.12094084g/mol |
重原子数量 |
26 |
复杂度 |
597 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
1 |
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) |
2.5 |
拓扑分子极性表面积 |
88.6Ų |
甲烷磺酰胺,N-[4-(4-氟苯基)-6-(1-甲基乙基)-5-[(1E)-3-氧代-1-丙烯-1-基]-2-嘧啶]-N-甲基-推荐生产厂家