HCID59205404

5-Cyano-1-(3-trifluoromethoxybenzyl)-1H-indole-2-carboxylic acid (1-hydroxy-cyclopentylmethyl)amide

5-cyano-N-[(1-hydroxycyclopentyl)methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide

C24H22F3N3O3457.4 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: N#Cc1ccc2c(c1)cc(C(=O)NCC1(O)CCCC1)n2Cc1cccc(OC(F)(F)F)c1
InChIKey: HSGNTWXZLBLALP-UHFFFAOYSA-N
分子式: C24H22F3N3O3
平均分子量: 457.4 g/mol
单同位素质量: 457.16132606

COMPUTED

结构计算性质

已同步

XLogP: 4.5
极性表面积: 87.3 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 6
重原子: 33
形式电荷: 0
复杂度: 746

ALIASES

名称与别名

共 2 条

5-Cyano-1-(3-trifluoromethoxybenzyl)-1H-indole-2-carboxylic acid (1-hydroxy-cyclopentylmethyl)amideSCHEMBL13422855

REACTIONS

相关反应

2 条

HRID 1234081 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

HRID 2242377 反应方程式

uspto-grants-2010_03 · 10.6084/m9.figshare.5104873.v1 · US07671080B2