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

• ChemBase编号: 219647
• 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)NCCC)CCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: CCCNC(=O)CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cc(OC)cc2
• InChI: InChI=1S/C20H26N4O4/c1-3-9-21-18(25)7-6-17-19(26)24(20(27)23-17)10-8-13-12-22-16-5-4-14(28-2)11-15(13)16/h4-5,11-12,17,22H,3,6-10H2,1-2H3,(H,21,25)(H,23,27)/t17-/m0/s1
• InChIKey: GUKPYTODUZUJNR-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-propylpropanamide
• IUPAC传统名: 3-[(4S)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-propylpropanamide

登记号

• PubChem SID: 164275557
• PubChem CID: 16409539

理论计算性质

• Acid pKa: 11.832119
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): 1.2393571
• LogD (pH = 7.4): 1.2393421
• Log P: 1.239358
• 摩尔折射率: 104.1359 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: 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