({6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}methyl)(furan-2-ylmethyl)[2-(morpholin-4-yl)ethyl]amine

• ChemBase编号: 627951
• 分子式: C20H25ClN4O2
• 平均质量: 388.8911
• 单一同位素质量: 388.16660374
• SMILES: n12c(c(nc1ccc(c2)Cl)C)CN(Cc1occc1)CCN1CCOCC1
• Canonical SMILES: Clc1ccc2n(c1)c(CN(Cc1ccco1)CCN1CCOCC1)c(n2)C
• InChI: InChI=1S/C20H25ClN4O2/c1-16-19(25-13-17(21)4-5-20(25)22-16)15-24(14-18-3-2-10-27-18)7-6-23-8-11-26-12-9-23/h2-5,10,13H,6-9,11-12,14-15H2,1H3
• InChIKey: VWINMGIVRRQDGM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ({6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}methyl)(furan-2-ylmethyl)[2-(morpholin-4-yl)ethyl]amine
• IUPAC传统名: ({6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}methyl)(furan-2-ylmethyl)[2-(morpholin-4-yl)ethyl]amine
• 别名: N-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-N-(2-furylmethyl)-2-morpholin-4-ylethanamine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.35409904
• LogD (pH = 7.4): 1.5328584
• Log P: 1.941226
• 摩尔折射率: 107.85 cm^3
• 极化性: 41.13662 Å^3
• 极化表面积: 46.15 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 3.31
• LOG S: -3.86
• 极化表面积: 46.15 Å^2
• 可自由旋转的化学键: 7