4-[2-(2,5-dichlorophenyl)diazen-1-yl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide

• ChemBase编号: 798201
• 分子式: C24H17Cl2N3O3
• 平均质量: 466.31608
• 单一同位素质量: 465.06469678
• SMILES: c1cc2c(cc1)c(c(c(c2)C(=O)Nc1c(cccc1)OC)O)N=Nc1c(ccc(c1)Cl)Cl
• Canonical SMILES: COc1ccccc1NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(Cl)ccc1Cl
• InChI: InChI=1S/C24H17Cl2N3O3/c1-32-21-9-5-4-8-19(21)27-24(31)17-12-14-6-2-3-7-16(14)22(23(17)30)29-28-20-13-15(25)10-11-18(20)26/h2-13,30H,1H3,(H,27,31)
• InChIKey: IBVDQFFVBKPVPB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[2-(2,5-dichlorophenyl)diazen-1-yl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
• IUPAC传统名: 4-[2-(2,5-dichlorophenyl)diazen-1-yl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
• 别名: 4-((2,5-dichlorophenyl)azo)-3-hydroxy-n-(2-methoxyphenyl)-2-Naphthalenecarboxamide

登记号

• CAS号: 6410-38-4

理论计算性质

• Acid pKa: 10.341922
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 7.2073474
• LogD (pH = 7.4): 7.2068634
• Log P: 7.2073536
• 摩尔折射率: 130.4144 cm^3
• 极化性: 48.562843 Å^3
• 极化表面积: 83.28 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: 97%