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

• ChemBase ID: 199923
• Molecular Formular: C23H23NO8
• Molecular Mass: 441.43062
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164255833
• PubChem CID: 1756661

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 2.2318277
• LogD (pH = 7.4): 2.2318277
• Log P: 2.2318277
• Molar Refractivity: 115.1129 cm^3
• Polarizability: 43.96011 Å^3
• Polar Surface Area: 92.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds