ethyl 2-amino-4-(furan-2-yl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate

• ChemBase ID: 180741
• Molecular Formular: C19H15NO6
• Molecular Mass: 353.3255
• Monoisotopic Mass: 353.08993721
• SMILES: c12c(OC(=C(C2c2occc2)C(=O)OCC)N)c2c(oc1=O)cccc2
• Canonical SMILES: CCOC(=O)C1=C(N)Oc2c(C1c1ccco1)c(=O)oc1c2cccc1
• InChI: InChI=1S/C19H15NO6/c1-2-23-18(21)15-13(12-8-5-9-24-12)14-16(26-17(15)20)10-6-3-4-7-11(10)25-19(14)22/h3-9,13H,2,20H2,1H3
• InChIKey: XASBTCWKPWEFAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-amino-4-(furan-2-yl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate
• IUPAC Traditional name: ethyl 2-amino-4-(furan-2-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carboxylate

Database IDs

• PubChem SID: 164236651
• PubChem CID: 3625361

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7351968
• LogD (pH = 7.4): 1.7362972
• Log P: 1.7363113
• Molar Refractivity: 101.0761 cm^3
• Polarizability: 34.883797 Å^3
• Polar Surface Area: 100.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Tautomers
• Classification: Derivatives & analogs of Natural Compounds