uspto-grants-2006_06 · 10.6084/m9.figshare.5104873.v1 · US07064119B2
查看![N-[3,5-bis(trifluoromethyl)benzyl]-N-[3-(t-butoxycarbonylamino)propyl]-4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylic acid amide 分子结构式](/api/mol/21030672/svg/360x280.svg)
HCID21030672
N-[3,5-bis(trifluoromethyl)benzyl]-N-[3-(t-butoxycarbonylamino)propyl]-4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylic acid amide
tert-butyl N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl-(4,6-dichloro-2-methylsulfanylpyrimidine-5-carbonyl)amino]propyl]carbamate
C23H24Cl2F6N4O3S621.4 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CSc1nc(Cl)c(C(=O)N(CCCNC(=O)OC(C)(C)C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(Cl)n1
- InChIKey
- JNRZVXGSLVQNMG-UHFFFAOYSA-N
- 分子式
- C23H24Cl2F6N4O3S
- 平均分子量
- 621.4 g/mol
- 单同位素质量
- 620.0850362
COMPUTED
结构计算性质
- XLogP
- 6.8
- 极性表面积
- 110 Ų
- 氢键供体
- 1
- 氢键受体
- 12
- 可旋转键
- 10
- 重原子
- 39
- 形式电荷
- 0
- 复杂度
- 799
ALIASES
名称与别名
N-[3,5-bis(trifluoromethyl)benzyl]-N-[3-(t-butoxycarbonylamino)propyl]-4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylic acid amideSCHEMBL5227594
REACTIONS
参与反应