(2Z)-7-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-6-yl morpholine-4-carboxylate

• ChemBase编号: 209772
• 分子式: C24H25NO8
• 平均质量: 455.4572
• 单一同位素质量: 455.15801677
• SMILES: c12O/C(=C\c3cc(c(c(c3)OC)OC)OC)/C(=O)c1ccc(c2C)OC(=O)N1CCOCC1
• Canonical SMILES: COc1cc(/C=C/2\Oc3c(C2=O)ccc(c3C)OC(=O)N2CCOCC2)cc(c1OC)OC
• InChI: InChI=1S/C24H25NO8/c1-14-17(33-24(27)25-7-9-31-10-8-25)6-5-16-21(26)18(32-22(14)16)11-15-12-19(28-2)23(30-4)20(13-15)29-3/h5-6,11-13H,7-10H2,1-4H3/b18-11-
• InChIKey: OUAFKWBYAUJXIJ-WQRHYEAKSA-N

名称和登记号

名称

• IUPAC标准名: (2Z)-7-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-6-yl morpholine-4-carboxylate
• IUPAC传统名: (2Z)-7-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl morpholine-4-carboxylate

登记号

• PubChem SID: 164265682
• PubChem CID: 1787618

理论计算性质

• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): 2.745249
• LogD (pH = 7.4): 2.745249
• Log P: 2.745249
• 摩尔折射率: 120.1541 cm^3
• 极化性: 45.71947 Å^3
• 极化表面积: 92.76 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