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

• ChemBase编号: 219763
• 分子式: C20H26N4O4
• 平均质量: 386.44484
• 单一同位素质量: 386.19540533
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NC(C)C)CCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCN1C(=O)N[C@H](C1=O)CCC(=O)NC(C)C)c[nH]2
• InChI: InChI=1S/C20H26N4O4/c1-12(2)22-18(25)7-6-17-19(26)24(20(27)23-17)9-8-13-11-21-16-5-4-14(28-3)10-15(13)16/h4-5,10-12,17,21H,6-9H2,1-3H3,(H,22,25)(H,23,27)/t17-/m0/s1
• InChIKey: OILRCWZUAJILFY-KRWDZBQOSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164275673
• PubChem CID: 16409654

理论计算性质

• LogD (pH = 5.5): 1.1334099
• LogD (pH = 7.4): 1.1333947
• Log P: 1.1334106
• 摩尔折射率: 104.0307 cm^3
• 极化性: 41.207714 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
• Acid pKa: 11.832106
• 质子受体: 4
• 质子供体: 3

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds