1-(2,6-dichloro-4-methylpyridine-3-carbonyl)-3-(2,5-dichlorophenyl)imidazolidine-2,4,5-trione

• ChemBase编号: 84288
• 分子式: C16H7Cl4N3O4
• 平均质量: 447.05648
• 单一同位素质量: 444.91906644
• SMILES: N1(C(=O)N(c2cc(ccc2Cl)Cl)C(=O)C1=O)C(=O)c1c(nc(cc1C)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)N1C(=O)C(=O)N(C1=O)C(=O)c1c(C)cc(nc1Cl)Cl)Cl
• InChI: InChI=1S/C16H7Cl4N3O4/c1-6-4-10(19)21-12(20)11(6)13(24)23-15(26)14(25)22(16(23)27)9-5-7(17)2-3-8(9)18/h2-5H,1H3
• InChIKey: GWEFDKYWINUEMW-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD00104573
• PubChem SID: 162071404
• PubChem CID: 2781817

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 4.673022
• LogD (pH = 7.4): 4.673022
• Log P: 4.673022
• 摩尔折射率: 100.5624 cm^3
• 极化性: 37.803963 Å^3
• 极化表面积: 87.65 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true