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

• ChemBase ID: 210167
• Molecular Formular: C24H21NO6
• Molecular Mass: 419.42664
• Monoisotopic Mass: 419.1368874
• SMILES: C\1(=C\C2=Cc3c(OC2C)cccc3)/C(=O)c2c(O1)cc(OC(=O)N1CCOCC1)cc2
• Canonical SMILES: O=C(N1CCOCC1)Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1C)/C2=O
• InChI: InChI=1S/C24H21NO6/c1-15-17(12-16-4-2-3-5-20(16)29-15)13-22-23(26)19-7-6-18(14-21(19)31-22)30-24(27)25-8-10-28-11-9-25/h2-7,12-15H,8-11H2,1H3/b22-13-
• InChIKey: ZPLFTSHDSUOVSG-XKZIYDEJSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164266077
• PubChem CID: 16403161

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.9721282
• LogD (pH = 7.4): 2.9721282
• Log P: 2.9721282
• Molar Refractivity: 114.7193 cm^3
• Polarizability: 43.41771 Å^3
• Polar Surface Area: 74.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds