{imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)[(3-phenyloxolan-3-yl)methyl]amine

• ChemBase编号: 642241
• 分子式: C20H23N3O
• 平均质量: 321.41612
• 单一同位素质量: 321.18411237
• SMILES: n12c(cnc1cccc2)CN(CC1(c2ccccc2)COCC1)C
• Canonical SMILES: CN(CC1(CCOC1)c1ccccc1)Cc1cnc2n1cccc2
• InChI: InChI=1S/C20H23N3O/c1-22(14-18-13-21-19-9-5-6-11-23(18)19)15-20(10-12-24-16-20)17-7-3-2-4-8-17/h2-9,11,13H,10,12,14-16H2,1H3
• InChIKey: OJARIVLABQMCII-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)[(3-phenyloxolan-3-yl)methyl]amine
• IUPAC传统名: {imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)[(3-phenyloxolan-3-yl)methyl]amine
• 别名: (imidazo[1,2-a]pyridin-3-ylmethyl)methyl[(3-phenyltetrahydrofuran-3-yl)methyl]amine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.867731
• LogD (pH = 7.4): 0.9626404
• Log P: 2.2658777
• 摩尔折射率: 97.3882 cm^3
• 极化性: 37.194454 Å^3
• 极化表面积: 29.77 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.93
• LOG S: -3.04
• 极化表面积: 29.77 Å^2
• 可自由旋转的化学键: 5