2-(dimethyl-1,3-thiazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)acetamide

• ChemBase编号: 388930
• 分子式: C19H26N2O3S
• 平均质量: 362.48634
• 单一同位素质量: 362.1664137
• SMILES: c1(nc(sc1C)C)CC(=O)N(Cc1c(OC)cccc1)C(COC)C
• Canonical SMILES: COCC(N(C(=O)Cc1nc(sc1C)C)Cc1ccccc1OC)C
• InChI: InChI=1S/C19H26N2O3S/c1-13(12-23-4)21(11-16-8-6-7-9-18(16)24-5)19(22)10-17-14(2)25-15(3)20-17/h6-9,13H,10-12H2,1-5H3
• InChIKey: BGZRKEGCJBRNPJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(dimethyl-1,3-thiazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)acetamide
• IUPAC传统名: 2-(dimethyl-1,3-thiazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)acetamide
• 别名: 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-methoxybenzyl)-N-(2-methoxy-1-methylethyl)acetamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.996223
• LogD (pH = 7.4): 3.0013084
• Log P: 3.0013735
• 摩尔折射率: 99.8527 cm^3
• 极化性: 38.534565 Å^3
• 极化表面积: 51.66 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.51
• LOG S: -3.99
• 极化表面积: 51.66 Å^2
• 可自由旋转的化学键: 8