2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide

• ChemBase编号: 787919
• 分子式: C14H20N4O4S
• 平均质量: 340.398
• 单一同位素质量: 340.12052614
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)N(Cc1nccs1)CCOC)C)C
• Canonical SMILES: COCCN(C(=O)CC1N(C)C(=O)N(C1=O)C)Cc1nccs1
• InChI: InChI=1S/C14H20N4O4S/c1-16-10(13(20)17(2)14(16)21)8-12(19)18(5-6-22-3)9-11-15-4-7-23-11/h4,7,10H,5-6,8-9H2,1-3H3
• InChIKey: LAULNGAOCASAIJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
• IUPAC传统名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
• 别名: 2-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide

理论计算性质

JChem

• Acid pKa: 14.169333
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -1.0262432
• LogD (pH = 7.4): -1.0260521
• Log P: -1.0260496
• 摩尔折射率: 83.1759 cm^3
• 极化性: 32.132 Å^3
• 极化表面积: 83.05 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: -0.66
• LOG S: -2.43
• 极化表面积: 83.05 Å^2
• 可自由旋转的化学键: 7