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

• ChemBase编号: 332141
• 分子式: C20H26N4O2
• 平均质量: 354.44604
• 单一同位素质量: 354.20557609
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN(CC=C)CC=C)C(=O)N1CCOCC1
• Canonical SMILES: C=CCN(Cc1c(nc2n1cccc2C)C(=O)N1CCOCC1)CC=C
• InChI: InChI=1S/C20H26N4O2/c1-4-8-22(9-5-2)15-17-18(20(25)23-11-13-26-14-12-23)21-19-16(3)7-6-10-24(17)19/h4-7,10H,1-2,8-9,11-15H2,3H3
• InChIKey: YMVDJAUSIXVFNQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}bis(prop-2-en-1-yl)amine
• IUPAC传统名: {[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}bis(prop-2-en-1-yl)amine
• 别名: N-allyl-N-{[8-methyl-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): 0.49247319
• LogD (pH = 7.4): 1.8979741
• Log P: 2.0622106
• 摩尔折射率: 105.2975 cm^3
• 极化性: 39.15121 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: 2.06
• LOG S: -1.22
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 7