{imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)[(2,3,4-trimethoxyphenyl)methyl]amine

• ChemBase编号: 833547
• 分子式: C19H23N3O3
• 平均质量: 341.40422
• 单一同位素质量: 341.17394161
• SMILES: n12c(cnc1cccc2)CN(Cc1c(c(c(cc1)OC)OC)OC)C
• Canonical SMILES: COc1c(ccc(c1OC)OC)CN(Cc1cnc2n1cccc2)C
• InChI: InChI=1S/C19H23N3O3/c1-21(13-15-11-20-17-7-5-6-10-22(15)17)12-14-8-9-16(23-2)19(25-4)18(14)24-3/h5-11H,12-13H2,1-4H3
• InChIKey: DOFHZVSEYFGZCI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)[(2,3,4-trimethoxyphenyl)methyl]amine
• IUPAC传统名: {imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)[(2,3,4-trimethoxyphenyl)methyl]amine
• 别名: (imidazo[1,2-a]pyridin-3-ylmethyl)methyl(2,3,4-trimethoxybenzyl)amine

理论计算性质

JChem

• 摩尔折射率: 98.3588 cm^3
• 极化性: 37.47927 Å^3
• 极化表面积: 48.23 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 0.26651934
• LogD (pH = 7.4): 1.714629
• Log P: 1.8724066

Provided by Chembridge

• 极化表面积: 48.23 Å^2
• 可自由旋转的化学键: 4
• 质子受体: 6
• 质子供体: 0
• Log P: 2.11
• LOG S: -1.91