2-cyclopentyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylacetamide

• ChemBase编号: 373254
• 分子式: C20H26N2OS
• 平均质量: 342.49824
• 单一同位素质量: 342.17658446
• SMILES: C(=O)(C(c1ccccc1)C1CCCC1)N(CCc1c(ncs1)C)C
• Canonical SMILES: O=C(C(c1ccccc1)C1CCCC1)N(CCc1scnc1C)C
• InChI: InChI=1S/C20H26N2OS/c1-15-18(24-14-21-15)12-13-22(2)20(23)19(17-10-6-7-11-17)16-8-4-3-5-9-16/h3-5,8-9,14,17,19H,6-7,10-13H2,1-2H3
• InChIKey: QCQFHACBHAXFTQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-cyclopentyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylacetamide
• IUPAC传统名: 2-cyclopentyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylacetamide
• 别名: 2-cyclopentyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylacetamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.8867977
• LogD (pH = 7.4): 3.8871217
• Log P: 3.8871257
• 摩尔折射率: 99.1671 cm^3
• 极化性: 38.34481 Å^3
• 极化表面积: 33.2 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: 3.68
• LOG S: -4.84
• 极化表面积: 33.2 Å^2
• 可自由旋转的化学键: 6