7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid,10-[(8S)-8-amino-6-azaspiro[3.4]oct-6-yl]-9-fluoro-2,3-dihydro-3-methyl-7-oxo-,(3S)- | 151390-79-3
7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid,10-[(8S)-8-amino-6-azaspiro[3.4]oct-6-yl]-9-fluoro-2,3-dihydro-3-methyl-7-oxo-,(3S)-
151390-79-3
C20H22N3O4F
387.40478
名称和标识符
InChIKey |
UGGPRXAHUOKTKV-IINYFYTJSA-N |
Inchi |
InChI=1S/C20H22FN3O4/c1-10-8-28-18-15-11(17(25)12(19(26)27)6-24(10)15)5-13(21)16(18)23-7-14(22)20(9-23)3-2-4-20/h5-6,10,14H,2-4,7-9,22H2,1H3,(H,26,27)/t10-,14+/m0/s1 |
SMILES |
OC(C1=CN2C3=C(C(N4C[C@@H](N)C5(CCC5)C4)=C(C=C3C1=O)F)OC[C@@H]2C)=O |
别名信息
- 英文别名 -
- 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid,10-[(8S)-8-amino-6-azaspiro[3.4]oct-6-yl]-9-fluoro-2,3-dihydro-3-methyl-7-oxo-,(3S)-
- 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid,10-[(8S)-8-amino-6-azaspiro[3.4]oct-6-yl]-9-fluoro-2,3-dihydro-3-methyl-
- (3S)-10-[(8S)-8-amino-6-azaspiro[3.4]oct-6-yl]-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
- DV-7751a
- 151390-79-3
- (2S)-6-[(8S)-8-Amino-6-azaspiro[3.4]octan-6-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
- 10-[(S)-8-Amino-6-aza-spiro[3.4]oct-6-yl]-9-fluoro-2,3-dihydro-3(S)-methyl-7-oxo-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carbocylic acid
- 7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 10-(8-amino-6-azaspiro(3.4)oct-6-yl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (S-(R*,R*))-
- DV 7751
- 7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 2,3-dihydro-10- (8-amino-6-azaspiro(3.4)oct-6-yl)-9-fluoro-3-methyl-7-oxo-, (S-(R*,R*))-
- DV 7751a
- DTXSID80164775
- SCHEMBL13576364
- 129321-78-4
- [(8S)-8-amino-6-azaspiro[3.4]octan-6-yl]-fluoro-methyl-oxo-[?]carboxylic acid
- 10-((S)-8-Amino-6-aza-spiro(3.4)oct-6-yl)-9-fluoro-2,3-dihydro-3(S)-methyl-7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazine-6-carbocylic acid
- DV-7751
物化性质
实验特性
折射率 |
1.692 |
沸点 |
626.7°Cat760mmHg |
闪点 |
332.8°C |
密度 |
1.51 |
计算特性
精确分子量 |
387.159 |
氢键供体数量 |
2 |
氢键受体数量 |
8 |
可旋转化学键数量 |
2 |
同位素质量 |
387.159 |
重原子数量 |
28 |
复杂度 |
739 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
2 |
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) |
_0.2 |
拓扑分子极性表面积 |
96.1Ų |