N-[2-(1H-indol-3-yl)ethyl]-4-methyl-4H-furo[3,2-b]pyrrole-5-carboxamide

• ChemBase编号: 223560
• 分子式: C18H17N3O2
• 平均质量: 307.34648
• 单一同位素质量: 307.1320768
• SMILES: c1(n(c2c(c1)occ2)C)C(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(c1cc2c(n1C)cco2)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C18H17N3O2/c1-21-15-7-9-23-17(15)10-16(21)18(22)19-8-6-12-11-20-14-5-3-2-4-13(12)14/h2-5,7,9-11,20H,6,8H2,1H3,(H,19,22)
• InChIKey: INNDATMDHWZNFS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(1H-indol-3-yl)ethyl]-4-methyl-4H-furo[3,2-b]pyrrole-5-carboxamide
• IUPAC传统名: N-[2-(1H-indol-3-yl)ethyl]-4-methylfuro[3,2-b]pyrrole-5-carboxamide

登记号

• PubChem SID: 164279470
• PubChem CID: 49652318

理论计算性质

• Acid pKa: 15.401291
• 质子受体: 1
• 质子供体: 2
• LogD (pH = 5.5): 2.5715442
• LogD (pH = 7.4): 2.5715444
• Log P: 2.5715444
• 摩尔折射率: 88.7388 cm^3
• 极化性: 35.512978 Å^3
• 极化表面积: 62.96 Å^2
• 可自由旋转的化学键: 4
• 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