(3,3-diphenylpropyl)({[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine

• ChemBase编号: 533008
• 分子式: C28H30N4O
• 平均质量: 438.564
• 单一同位素质量: 438.2419616
• SMILES: c1(nc2n(c1CNCCC(c1ccccc1)c1ccccc1)cccc2)C(=O)N1CCCC1
• Canonical SMILES: O=C(c1nc2n(c1CNCCC(c1ccccc1)c1ccccc1)cccc2)N1CCCC1
• InChI: InChI=1S/C28H30N4O/c33-28(31-18-9-10-19-31)27-25(32-20-8-7-15-26(32)30-27)21-29-17-16-24(22-11-3-1-4-12-22)23-13-5-2-6-14-23/h1-8,11-15,20,24,29H,9-10,16-19,21H2
• InChIKey: LWQIWLMSJADCLR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (3,3-diphenylpropyl)({[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• IUPAC传统名: (3,3-diphenylpropyl)({[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• 别名: (3,3-diphenylpropyl){[2-(1-pyrrolidinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.1730682
• LogD (pH = 7.4): 2.6534705
• Log P: 4.2060657
• 摩尔折射率: 133.7149 cm^3
• 极化性: 50.793377 Å^3
• 极化表面积: 49.64 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 3.93
• LOG S: -6.32
• 极化表面积: 49.64 Å^2
• 可自由旋转的化学键: 8