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

• ChemBase编号: 217613
• 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)Nc1ccc(cc1)C(C)C)CCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(Nc1ccc(cc1)C(C)C)CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C25H28N4O3/c1-16(2)17-7-9-19(10-8-17)27-23(30)12-11-22-24(31)29(25(32)28-22)14-13-18-15-26-21-6-4-3-5-20(18)21/h3-10,15-16,22,26H,11-14H2,1-2H3,(H,27,30)(H,28,32)/t22-/m0/s1
• InChIKey: SRCXRXWEFDJCGL-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-[4-(propan-2-yl)phenyl]propanamide
• IUPAC传统名: 3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-isopropylphenyl)propanamide

登记号

• PubChem SID: 164273523
• PubChem CID: 16407611

理论计算性质

• Acid pKa: 11.9081
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): 3.7802763
• LogD (pH = 7.4): 3.7802632
• Log P: 3.7802765
• 摩尔折射率: 124.1493 cm^3
• 极化性: 48.186253 Å^3
• 极化表面积: 94.3 Å^2
• 可自由旋转的化学键: 8
• 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