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

• ChemBase编号: 217788
• 分子式: C24H26N4O5
• 平均质量: 450.48704
• 单一同位素质量: 450.19031995
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)Nc1cc(cc(c1)OC)OC)CCc1c[nH]c2c1cccc2
• Canonical SMILES: COc1cc(NC(=O)CC[C@@H]2NC(=O)N(C2=O)CCc2c[nH]c3c2cccc3)cc(c1)OC
• InChI: InChI=1S/C24H26N4O5/c1-32-17-11-16(12-18(13-17)33-2)26-22(29)8-7-21-23(30)28(24(31)27-21)10-9-15-14-25-20-6-4-3-5-19(15)20/h3-6,11-14,21,25H,7-10H2,1-2H3,(H,26,29)(H,27,31)/t21-/m0/s1
• InChIKey: SYNQYQJYRCPKII-NRFANRHFSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164273698
• PubChem CID: 16407783

理论计算性质

• Acid pKa: 11.504797
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): 2.2199244
• LogD (pH = 7.4): 2.219891
• Log P: 2.219925
• 摩尔折射率: 122.8849 cm^3
• 极化性: 47.783794 Å^3
• 极化表面积: 112.76 Å^2
• 可自由旋转的化学键: 9
• 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