N,N-dimethyl-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine

• ChemBase编号: 605802
• 分子式: C19H25N3O3
• 平均质量: 343.4201
• 单一同位素质量: 343.18959168
• SMILES: c1(nc(c2cc(c(c(c2)OC)OC)OC)c2c(n1)CCCC2)N(C)C
• Canonical SMILES: COc1cc(cc(c1OC)OC)c1nc(nc2c1CCCC2)N(C)C
• InChI: InChI=1S/C19H25N3O3/c1-22(2)19-20-14-9-7-6-8-13(14)17(21-19)12-10-15(23-3)18(25-5)16(11-12)24-4/h10-11H,6-9H2,1-5H3
• InChIKey: DTICKXFVIWSAPT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine
• IUPAC传统名: N,N-dimethyl-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine
• 别名: N,N-dimethyl-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine

理论计算性质

JChem

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 3.7089765
• LogD (pH = 7.4): 3.7226205
• Log P: 3.7227974
• 摩尔折射率: 98.3091 cm^3
• 极化性: 38.34351 Å^3
• 极化表面积: 56.71 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: 3.7
• LOG S: -4.86
• 极化表面积: 56.71 Å^2
• 可自由旋转的化学键: 5