2-(2,5-dioxoimidazolidin-1-yl)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide

• ChemBase编号: 500520
• 分子式: C19H19N5O3
• 平均质量: 365.38586
• 单一同位素质量: 365.14878949
• SMILES: N1(C(=O)NCC1=O)CC(=O)NC1c2c(nc(nc2)c2ccccc2)CCC1
• Canonical SMILES: O=C(NC1CCCc2c1cnc(n2)c1ccccc1)CN1C(=O)CNC1=O
• InChI: InChI=1S/C19H19N5O3/c25-16(11-24-17(26)10-21-19(24)27)22-14-7-4-8-15-13(14)9-20-18(23-15)12-5-2-1-3-6-12/h1-3,5-6,9,14H,4,7-8,10-11H2,(H,21,27)(H,22,25)
• InChIKey: CZNMVDFZRZAZDC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,5-dioxoimidazolidin-1-yl)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
• IUPAC传统名: 2-(2,5-dioxoimidazolidin-1-yl)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
• 别名: 2-(2,5-dioxoimidazolidin-1-yl)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide

理论计算性质

JChem

• Acid pKa: 11.808402
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 0.928036
• LogD (pH = 7.4): 0.928247
• Log P: 0.9282667
• 摩尔折射率: 107.1923 cm^3
• 极化性: 37.502907 Å^3
• 极化表面积: 104.29 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 2
• Log P: 1.36
• LOG S: -3.03
• 极化表面积: 104.29 Å^2
• 可自由旋转的化学键: 4