N-(2-oxo-2H-chromen-6-yl)-2H-chromene-3-carboxamide

• ChemBase ID: 220205
• Molecular Formular: C19H13NO4
• Molecular Mass: 319.31082
• Monoisotopic Mass: 319.0844579
• SMILES: C1(=Cc2c(OC1)cccc2)C(=O)Nc1cc2c(oc(=O)cc2)cc1
• Canonical SMILES: O=c1ccc2c(o1)ccc(c2)NC(=O)C1=Cc2c(OC1)cccc2
• InChI: InChI=1S/C19H13NO4/c21-18-8-5-13-10-15(6-7-17(13)24-18)20-19(22)14-9-12-3-1-2-4-16(12)23-11-14/h1-10H,11H2,(H,20,22)
• InChIKey: GHZMAPGQZOCDCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-oxo-2H-chromen-6-yl)-2H-chromene-3-carboxamide
• IUPAC Traditional name: N-(2-oxochromen-6-yl)-2H-chromene-3-carboxamide

Database IDs

• PubChem SID: 164276115
• PubChem CID: 16649052

CALCULATED PROPERTIES

• Acid pKa: 14.180648
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.856187
• LogD (pH = 7.4): 2.856187
• Log P: 2.856187
• Molar Refractivity: 91.1615 cm^3
• Polarizability: 33.633934 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds