3-(3-chlorophenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione

• ChemBase编号: 188637
• 分子式: C18H14ClN3O2
• 平均质量: 339.77566
• 单一同位素质量: 339.07745438
• SMILES: N1(C(=O)NC(C1=O)Cc1c[nH]c2c1cccc2)c1cc(Cl)ccc1
• Canonical SMILES: Clc1cccc(c1)N1C(=O)NC(C1=O)Cc1c[nH]c2c1cccc2
• InChI: InChI=1S/C18H14ClN3O2/c19-12-4-3-5-13(9-12)22-17(23)16(21-18(22)24)8-11-10-20-15-7-2-1-6-14(11)15/h1-7,9-10,16,20H,8H2,(H,21,24)
• InChIKey: RJDCCYHBCJMNNZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(3-chlorophenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
• IUPAC传统名: 3-(3-chlorophenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione

登记号

• PubChem SID: 164244547
• PubChem CID: 2947862

理论计算性质

• Acid pKa: 13.117064
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 3.3593113
• LogD (pH = 7.4): 3.3593104
• Log P: 3.3593113
• 摩尔折射率: 90.7246 cm^3
• 极化性: 36.019783 Å^3
• 极化表面积: 65.2 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds