N-cyclopropyl-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

• ChemBase编号: 759209
• 分子式: C14H17N3O4S
• 平均质量: 323.36748
• 单一同位素质量: 323.09397704
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)N(C1CC1)Cc1nccs1
• Canonical SMILES: O=C(N(C1CC1)Cc1nccs1)CN1C(=O)OC(C1=O)(C)C
• InChI: InChI=1S/C14H17N3O4S/c1-14(2)12(19)17(13(20)21-14)8-11(18)16(9-3-4-9)7-10-15-5-6-22-10/h5-6,9H,3-4,7-8H2,1-2H3
• InChIKey: BTEZLXBBEJPEAP-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 15.987237
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.5443426
• LogD (pH = 7.4): 0.5445336
• Log P: 0.54453605
• 摩尔折射率: 77.2596 cm^3
• 极化性: 30.263338 Å^3
• 极化表面积: 79.81 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 1.35
• LOG S: -2.71
• 极化表面积: 79.81 Å^2
• 可自由旋转的化学键: 5