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

• ChemBase编号: 219353
• 分子式: C22H28N4O4
• 平均质量: 412.48212
• 单一同位素质量: 412.2110554
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NC1CCCC1)CCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCN1C(=O)N[C@H](C1=O)CCC(=O)NC1CCCC1)c[nH]2
• InChI: InChI=1S/C22H28N4O4/c1-30-16-6-7-18-17(12-16)14(13-23-18)10-11-26-21(28)19(25-22(26)29)8-9-20(27)24-15-4-2-3-5-15/h6-7,12-13,15,19,23H,2-5,8-11H2,1H3,(H,24,27)(H,25,29)/t19-/m0/s1
• InChIKey: HPHXFWWCRKWLFF-IBGZPJMESA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164275263
• PubChem CID: 16409261

理论计算性质

• Acid pKa: 11.84056
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): 1.7147274
• LogD (pH = 7.4): 1.7147139
• Log P: 1.7147295
• 摩尔折射率: 111.2765 cm^3
• 极化性: 44.160816 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