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

• ChemBase编号: 847118
• 分子式: C20H23N3O2S
• 平均质量: 369.48052
• 单一同位素质量: 369.15109799
• SMILES: c12n(c(CC(=O)N(Cc3cscc3)CC3OCCC3)cn1)cccc2C
• Canonical SMILES: O=C(N(Cc1cscc1)CC1CCCO1)Cc1cnc2n1cccc2C
• InChI: InChI=1S/C20H23N3O2S/c1-15-4-2-7-23-17(11-21-20(15)23)10-19(24)22(12-16-6-9-26-14-16)13-18-5-3-8-25-18/h2,4,6-7,9,11,14,18H,3,5,8,10,12-13H2,1H3
• InChIKey: LSXKHJVZPHGXHG-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.6003615
• LogD (pH = 7.4): 2.3433375
• Log P: 2.3946338
• 摩尔折射率: 103.7514 cm^3
• 极化性: 39.201363 Å^3
• 极化表面积: 46.84 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: 3
• 质子供体: 0
• Log P: 2.1
• LOG S: -3.69
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 6