(5S)-3-[2-(1H-indol-3-yl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

• ChemBase编号: 204783
• 分子式: C17H21N3O2
• 平均质量: 299.36754
• 单一同位素质量: 299.16337693
• SMILES: N1(C(=O)N[C@H](C1=O)CC(C)C)CCc1c[nH]c2c1cccc2
• Canonical SMILES: CC(C[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cccc2)C
• InChI: InChI=1S/C17H21N3O2/c1-11(2)9-15-16(21)20(17(22)19-15)8-7-12-10-18-14-6-4-3-5-13(12)14/h3-6,10-11,15,18H,7-9H2,1-2H3,(H,19,22)/t15-/m0/s1
• InChIKey: NHWFXGGAUMGJJR-HNNXBMFYSA-N

名称和登记号

名称

• IUPAC标准名: (5S)-3-[2-(1H-indol-3-yl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
• IUPAC传统名: (5S)-3-[2-(1H-indol-3-yl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

登记号

• PubChem SID: 164260693
• PubChem CID: 6571784

理论计算性质

• Acid pKa: 12.263362
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 2.7082262
• LogD (pH = 7.4): 2.7082205
• Log P: 2.7082262
• 摩尔折射率: 84.5644 cm^3
• 极化性: 33.79109 Å^3
• 极化表面积: 65.2 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Rare Genuine Natural Compounds