(2E)-2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-6-[(2-methylprop-2-en-1-yl)oxy]-2,3-dihydro-1-benzofuran-3-one

• ChemBase编号: 219108
• 分子式: C24H23NO4
• 平均质量: 389.44372
• 单一同位素质量: 389.16270822
• SMILES: C\1(=C/c2c3c(n(c2)CC)ccc(c3)OC)/C(=O)c2c(O1)cc(OCC(=C)C)cc2
• Canonical SMILES: COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3)OCC(=C)C)cn2CC
• InChI: InChI=1S/C24H23NO4/c1-5-25-13-16(20-11-17(27-4)7-9-21(20)25)10-23-24(26)19-8-6-18(12-22(19)29-23)28-14-15(2)3/h6-13H,2,5,14H2,1,3-4H3/b23-10+
• InChIKey: HPGPYLPDGQHDSR-AUEPDCJTSA-N

名称和登记号

名称

• IUPAC标准名: (2E)-2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-6-[(2-methylprop-2-en-1-yl)oxy]-2,3-dihydro-1-benzofuran-3-one
• IUPAC传统名: (2E)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-6-[(2-methylprop-2-en-1-yl)oxy]-1-benzofuran-3-one

登记号

• PubChem SID: 164275018
• PubChem CID: 16409026

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.540789
• LogD (pH = 7.4): 4.540789
• Log P: 4.540789
• 摩尔折射率: 114.1492 cm^3
• 极化性: 44.40958 Å^3
• 极化表面积: 49.69 Å^2
• 可自由旋转的化学键: 6
• 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