[(4-ethylphenyl)methyl](methyl){[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine

• ChemBase编号: 395599
• 分子式: C24H30N4O2
• 平均质量: 406.5206
• 单一同位素质量: 406.23687622
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN(Cc1ccc(cc1)CC)C)C(=O)N1CCOCC1
• Canonical SMILES: CCc1ccc(cc1)CN(Cc1c(nc2n1cccc2C)C(=O)N1CCOCC1)C
• InChI: InChI=1S/C24H30N4O2/c1-4-19-7-9-20(10-8-19)16-26(3)17-21-22(24(29)27-12-14-30-15-13-27)25-23-18(2)6-5-11-28(21)23/h5-11H,4,12-17H2,1-3H3
• InChIKey: SKYWFGDJEMEXFG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(4-ethylphenyl)methyl](methyl){[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
• IUPAC传统名: [(4-ethylphenyl)methyl](methyl){[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
• 别名: (4-ethylbenzyl)methyl{[8-methyl-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine

理论计算性质

Provided by Chembridge

• 可自由旋转的化学键: 5
• 质子受体: 5
• 质子供体: 0
• Log P: 3.31
• LOG S: -3.0
• 极化表面积: 50.08 Å^2

JChem

• 里宾斯基五规则: true
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.1227925
• LogD (pH = 7.4): 2.8217587
• Log P: 3.282174
• 摩尔折射率: 121.2269 cm^3
• 极化性: 45.465645 Å^3
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 6