2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)acetamide

• ChemBase编号: 508201
• 分子式: C19H23N3OS
• 平均质量: 341.47042
• 单一同位素质量: 341.15618337
• SMILES: c12n(c(CC(=O)N(Cc3cscc3)CC(C)C)cn1)cccc2C
• Canonical SMILES: CC(CN(C(=O)Cc1cnc2n1cccc2C)Cc1cscc1)C
• InChI: InChI=1S/C19H23N3OS/c1-14(2)11-21(12-16-6-8-24-13-16)18(23)9-17-10-20-19-15(3)5-4-7-22(17)19/h4-8,10,13-14H,9,11-12H2,1-3H3
• InChIKey: WHHHGYPFZKJBRW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)acetamide
• IUPAC传统名: 2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)acetamide
• 别名: N-isobutyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-thienylmethyl)acetamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.4260757
• LogD (pH = 7.4): 3.1690516
• Log P: 3.220348
• 摩尔折射率: 99.2409 cm^3
• 极化性: 37.385544 Å^3
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 3.32
• LOG S: -4.53
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 6