2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide

• ChemBase编号: 823583
• 分子式: C18H23NO4S
• 平均质量: 349.44452
• 单一同位素质量: 349.13477922
• SMILES: C(=O)(N(Cc1sccc1)CCOC)Cc1c(ccc(c1)OC)OC
• Canonical SMILES: COCCN(C(=O)Cc1cc(OC)ccc1OC)Cc1cccs1
• InChI: InChI=1S/C18H23NO4S/c1-21-9-8-19(13-16-5-4-10-24-16)18(20)12-14-11-15(22-2)6-7-17(14)23-3/h4-7,10-11H,8-9,12-13H2,1-3H3
• InChIKey: YACRIPOFOCTZAI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
• IUPAC传统名: 2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
• 别名: 2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-N-(2-thienylmethyl)acetamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.5264401
• LogD (pH = 7.4): 2.5264401
• Log P: 2.5264401
• 摩尔折射率: 94.4536 cm^3
• 极化性: 36.574425 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.65
• LOG S: -4.01
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 9