methyl 2-amino-5-oxo-4-phenyl-4H,5H-pyrano[3,2-c]chromene-3-carboxylate

• ChemBase ID: 210399
• Molecular Formular: C20H15NO5
• Molecular Mass: 349.3368
• Monoisotopic Mass: 349.09502259
• SMILES: c12c(OC(=C(C2c2ccccc2)C(=O)OC)N)c2c(oc1=O)cccc2
• Canonical SMILES: COC(=O)C1=C(N)Oc2c(C1c1ccccc1)c(=O)oc1c2cccc1
• InChI: InChI=1S/C20H15NO5/c1-24-19(22)16-14(11-7-3-2-4-8-11)15-17(26-18(16)21)12-9-5-6-10-13(12)25-20(15)23/h2-10,14H,21H2,1H3
• InChIKey: RMFKGJXBXVFQKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-5-oxo-4-phenyl-4H,5H-pyrano[3,2-c]chromene-3-carboxylate
• IUPAC Traditional name: methyl 2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carboxylate

Database IDs

• PubChem SID: 164266309
• PubChem CID: 5089664

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3960352
• LogD (pH = 7.4): 2.3971956
• Log P: 2.3972104
• Molar Refractivity: 103.8596 cm^3
• Polarizability: 36.125805 Å^3
• Polar Surface Area: 87.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds