uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835494B2
查看![Acetic acid 1-[(acetylmethylamino)methyl]-2-{[1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarbonyl]methylamino}ethyl ester 分子结构式](/api/mol/86698894/svg/360x280.svg)
HCID86698894
Acetic acid 1-[(acetylmethylamino)methyl]-2-{[1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarbonyl]methylamino}ethyl ester
[1-[[2-[1-[4-(3,4-dichlorophenyl)-3-fluorophenyl]cyclopropyl]-2-oxoethyl]amino]-3-(2-oxopropylamino)propan-2-yl] acetate
C25H27Cl2FN2O4509.4 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(=O)CNCC(CNCC(=O)C1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1)OC(C)=O
- InChIKey
- HCZUDTOEAIVHLY-UHFFFAOYSA-N
- 分子式
- C25H27Cl2FN2O4
- 平均分子量
- 509.4 g/mol
- 单同位素质量
- 508.1331909
COMPUTED
结构计算性质
- XLogP
- 3.7
- 极性表面积
- 84.5 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 13
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 736
ALIASES
名称与别名
SCHEMBL15302736HCZUDTOEAIVHLY-UHFFFAOYSA-Nacetic acid 1-[(acetylmethylamino)methyl]-2-{[1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarbonyl]methylamino}ethyl ester
REACTIONS
参与反应
uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835494B2
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