uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09265768B2
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HCID86679419
(S)-3,5-dichloro-4-(2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(4-nitrobenzylcarbamoyloxy)ethyl)pyridine 1-oxide
[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] N-[(4-nitrophenyl)methyl]carbamate
C26H23Cl2F2N3O7598.4 g/mol
IDENTITY
结构与身份
- 标准SMILES
- O=C(NCc1ccc([N+](=O)[O-])cc1)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
- InChIKey
- FTSZYMAIPOXBGB-QHCPKHFHSA-N
- 分子式
- C26H23Cl2F2N3O7
- 平均分子量
- 598.4 g/mol
- 单同位素质量
- 597.0881118
COMPUTED
结构计算性质
- XLogP
- 5.6
- 极性表面积
- 128 Ų
- 氢键供体
- 1
- 氢键受体
- 9
- 可旋转键
- 12
- 重原子
- 40
- 形式电荷
- 0
- 复杂度
- 821
ALIASES
名称与别名
(S)-3,5-dichloro-4-(2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(4-nitrobenzylcarbamoyloxy)ethyl)pyridine 1-oxideSCHEMBL14798812
REACTIONS
参与反应
uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09265768B2
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