3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide

• ChemBase编号: 219654
• 分子式: C25H28N4O3
• 平均质量: 432.51482
• 单一同位素质量: 432.21614078
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NCCCc1ccccc1)CCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cccc2)NCCCc1ccccc1
• InChI: InChI=1S/C25H28N4O3/c30-23(26-15-6-9-18-7-2-1-3-8-18)13-12-22-24(31)29(25(32)28-22)16-14-19-17-27-21-11-5-4-10-20(19)21/h1-5,7-8,10-11,17,22,27H,6,9,12-16H2,(H,26,30)(H,28,32)/t22-/m0/s1
• InChIKey: DPRQLPDNHKCVLT-QFIPXVFZSA-N

名称和登记号

名称

• IUPAC标准名: 3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide
• IUPAC传统名: 3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide

登记号

• PubChem SID: 164275564
• PubChem CID: 16409545

理论计算性质

• Acid pKa: 12.017767
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): 2.9754012
• LogD (pH = 7.4): 2.9753916
• Log P: 2.9754019
• 摩尔折射率: 122.3687 cm^3
• 极化性: 48.277214 Å^3
• 极化表面积: 94.3 Å^2
• 可自由旋转的化学键: 10
• 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