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

• ChemBase编号: 823418
• 分子式: C19H24N4O2
• 平均质量: 340.41946
• 单一同位素质量: 340.18992603
• SMILES: c1(c(n2c(n1)cccc2)CN(CC=C)CC=C)C(=O)N1CCOCC1
• Canonical SMILES: C=CCN(Cc1c(nc2n1cccc2)C(=O)N1CCOCC1)CC=C
• InChI: InChI=1S/C19H24N4O2/c1-3-8-21(9-4-2)15-16-18(19(24)22-11-13-25-14-12-22)20-17-7-5-6-10-23(16)17/h3-7,10H,1-2,8-9,11-15H2
• InChIKey: WFXZQVORPJDZKD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}bis(prop-2-en-1-yl)amine
• IUPAC传统名: {[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}bis(prop-2-en-1-yl)amine
• 别名: N-allyl-N-{[2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-2-propen-1-amine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.0058451374
• LogD (pH = 7.4): 1.3893799
• Log P: 1.5487893
• 摩尔折射率: 100.2563 cm^3
• 极化性: 37.38734 Å^3
• 极化表面积: 50.08 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: 1.56
• LOG S: -1.25
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 7