2-{4,9-dimethyl-7-oxo-3-phenyl-7H-furo[2,3-f]chromen-8-yl}-N-(propan-2-yl)acetamide

• ChemBase ID: 214035
• Molecular Formular: C24H23NO4
• Molecular Mass: 389.44372
• Monoisotopic Mass: 389.16270822
• SMILES: c1(c2c3c(c(co3)c3ccccc3)c(cc2oc(=O)c1CC(=O)NC(C)C)C)C
• Canonical SMILES: CC(NC(=O)Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)c1ccccc1)C
• InChI: InChI=1S/C24H23NO4/c1-13(2)25-20(26)11-17-15(4)22-19(29-24(17)27)10-14(3)21-18(12-28-23(21)22)16-8-6-5-7-9-16/h5-10,12-13H,11H2,1-4H3,(H,25,26)
• InChIKey: PMSBZNDYYCNHQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4,9-dimethyl-7-oxo-3-phenyl-7H-furo[2,3-f]chromen-8-yl}-N-(propan-2-yl)acetamide
• IUPAC Traditional name: 2-{4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl}-N-isopropylacetamide

Database IDs

• PubChem SID: 164269945
• PubChem CID: 4869333

CALCULATED PROPERTIES

• Acid pKa: 14.659138
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.1125183
• LogD (pH = 7.4): 4.1125183
• Log P: 4.1125183
• Molar Refractivity: 111.3589 cm^3
• Polarizability: 45.080048 Å^3
• Polar Surface Area: 68.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds