N-(2-oxo-2H-chromen-6-yl)-2-{2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide

• ChemBase ID: 218423
• Molecular Formular: C26H21NO6
• Molecular Mass: 443.44804
• Monoisotopic Mass: 443.1368874
• SMILES: c12c(c(c(c(=O)o1)CC(=O)Nc1cc3c(oc(=O)cc3)cc1)C)cc1c(oc(c1C)C)c2C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)Nc1ccc2c(c1)ccc(=O)o2
• InChI: InChI=1S/C26H21NO6/c1-12-15(4)31-24-14(3)25-19(10-18(12)24)13(2)20(26(30)33-25)11-22(28)27-17-6-7-21-16(9-17)5-8-23(29)32-21/h5-10H,11H2,1-4H3,(H,27,28)
• InChIKey: XSGKUPIEFCYGQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-oxo-2H-chromen-6-yl)-2-{2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide
• IUPAC Traditional name: N-(2-oxochromen-6-yl)-2-{2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl}acetamide

Database IDs

• PubChem SID: 164274333
• PubChem CID: 16408388

CALCULATED PROPERTIES

• Acid pKa: 10.944208
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.232573
• LogD (pH = 7.4): 4.232451
• Log P: 4.232575
• Molar Refractivity: 124.2952 cm^3
• Polarizability: 47.052525 Å^3
• Polar Surface Area: 94.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds