uspto-grants-2006_10 · 10.6084/m9.figshare.5104873.v1 · US07115611B2
查看![2-[4-({[4-Methoxymethyl-2-(4-trifluoromethyl-phenyl)-pyrimidine-5-carbonyl]-amino}-methyl)-phenoxy]-2-methyl-propionic acid ethyl ester 分子结构式](/api/mol/69667251/svg/360x280.svg)
HCID69667251
2-[4-({[4-Methoxymethyl-2-(4-trifluoromethyl-phenyl)-pyrimidine-5-carbonyl]-amino}-methyl)-phenoxy]-2-methyl-propionic acid ethyl ester
ethyl 2-[4-[[[4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carbonyl]amino]methyl]phenoxy]-2-methylpropanoate
C27H28F3N3O5531.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)C(C)(C)Oc1ccc(CNC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)nc2COC)cc1
- InChIKey
- RTPPAWOBCLAWEC-UHFFFAOYSA-N
- 分子式
- C27H28F3N3O5
- 平均分子量
- 531.5 g/mol
- 单同位素质量
- 531.19810549
COMPUTED
结构计算性质
- XLogP
- 4.1
- 极性表面积
- 99.6 Ų
- 氢键供体
- 1
- 氢键受体
- 10
- 可旋转键
- 11
- 重原子
- 38
- 形式电荷
- 0
- 复杂度
- 766
ALIASES
名称与别名
2-[4-({[4-methoxymethyl-2-(4-trifluoromethyl-phenyl)-pyrimidine-5-carbonyl]-amino}-methyl)-phenoxy]-2-methyl-propionic acid ethyl esterSCHEMBL6109397
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
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