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

• ChemBase编号: 220335
• 分子式: C20H24N4O4
• 平均质量: 384.42896
• 单一同位素质量: 384.17975527
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NC1CC1)CCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCN1C(=O)N[C@H](C1=O)CCC(=O)NC1CC1)c[nH]2
• InChI: InChI=1S/C20H24N4O4/c1-28-14-4-5-16-15(10-14)12(11-21-16)8-9-24-19(26)17(23-20(24)27)6-7-18(25)22-13-2-3-13/h4-5,10-11,13,17,21H,2-3,6-9H2,1H3,(H,22,25)(H,23,27)/t17-/m0/s1
• InChIKey: VENWNXOLPGCJGT-KRWDZBQOSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164276245
• PubChem CID: 17572157

理论计算性质

• Acid pKa: 11.750469
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): 0.82559144
• LogD (pH = 7.4): 0.825573
• Log P: 0.82559216
• 摩尔折射率: 102.0745 cm^3
• 极化性: 40.484924 Å^3
• 极化表面积: 103.53 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