1-[4-(4-chlorophenoxy)phenyl]-3-(2,6-dichloro-4-methylpyridine-3-carbonyl)imidazolidine-2,4,5-trione

• ChemBase编号: 84282
• 分子式: C22H12Cl3N3O5
• 平均质量: 504.70678
• 单一同位素质量: 502.98425354
• SMILES: N1(C(=O)N(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C1=O)C(=O)c1c(nc(cc1C)Cl)Cl
• Canonical SMILES: Clc1ccc(cc1)Oc1ccc(cc1)N1C(=O)C(=O)N(C1=O)C(=O)c1c(C)cc(nc1Cl)Cl
• InChI: InChI=1S/C22H12Cl3N3O5/c1-11-10-16(24)26-18(25)17(11)19(29)28-21(31)20(30)27(22(28)32)13-4-8-15(9-5-13)33-14-6-2-12(23)3-7-14/h2-10H,1H3
• InChIKey: QTFYJHXBXPWBSJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[4-(4-chlorophenoxy)phenyl]-3-(2,6-dichloro-4-methylpyridine-3-carbonyl)imidazolidine-2,4,5-trione
• IUPAC传统名: 1-[4-(4-chlorophenoxy)phenyl]-3-(2,6-dichloro-4-methylpyridine-3-carbonyl)imidazolidine-2,4,5-trione
• 别名: 1-[4-(4-chlorophenoxy)phenyl]-3-[(2,6-dichloro-4-methyl-3-pyridyl)carbonyl]imidazolidine-2,4,5-trione

登记号

• MDL号: MFCD00104574
• PubChem SID: 162071398
• PubChem CID: 2781805

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 5.5692644
• LogD (pH = 7.4): 5.5692644
• Log P: 5.5692644
• 摩尔折射率: 121.9984 cm^3
• 极化性: 46.05162 Å^3
• 极化表面积: 96.88 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false