(5-Methyl-3-pyrimidin-5-yl-3'-trifluoromethyl-biphenyl-4-yl)-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone
基本信息
- 标准SMILES
Cc1cc(-c2cccc(C(F)(F)F)c2)cc(-c2cncnc2)c1C(=O)N1CCC(N2CCCC2)CC1- InChIKey
CTZRLWBTCBGCLO-UHFFFAOYSA-N- 分子式
- C28H29F3N4O
- 平均分子量
- 494.6 g/mol
- 单同位素质量
- 494.22934605
名称与标识
- 首选名称
- (5-Methyl-3-pyrimidin-5-yl-3'-trifluoromethyl-biphenyl-4-yl)-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone
- IUPAC
- [2-methyl-6-pyrimidin-5-yl-4-[3-(trifluoromethyl)phenyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
名称与别名
(5-Methyl-3-pyrimidin-5-yl-3'-trifluoromethyl-biphenyl-4-yl)-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanoneSCHEMBL1083726
数据库标识
- PubChem CID
- 25190071
性质
结构计算性质
- XLogP
- 5.2
- 极性表面积
- 49.3 Ų
- 氢键供体
- 0
- 氢键受体
- 7
- 可旋转键
- 4
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 729
相关反应
2 条
化合物笔记
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