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

• ChemBase编号: 199923
• 分子式: C23H23NO8
• 平均质量: 441.43062
• 单一同位素质量: 441.1423667
• SMILES: C\1(=C\c2cc(c(c(c2)OC)OC)OC)/C(=O)c2c(O1)cc(OC(=O)N1CCOCC1)cc2
• Canonical SMILES: COc1cc(/C=C/2\Oc3c(C2=O)ccc(c3)OC(=O)N2CCOCC2)cc(c1OC)OC
• InChI: InChI=1S/C23H23NO8/c1-27-19-11-14(12-20(28-2)22(19)29-3)10-18-21(25)16-5-4-15(13-17(16)32-18)31-23(26)24-6-8-30-9-7-24/h4-5,10-13H,6-9H2,1-3H3/b18-10-
• InChIKey: FNAMTMUGFVQIFE-ZDLGFXPLSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164255833
• PubChem CID: 1756661

理论计算性质

• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): 2.2318277
• LogD (pH = 7.4): 2.2318277
• Log P: 2.2318277
• 摩尔折射率: 115.1129 cm^3
• 极化性: 43.96011 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