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

• ChemBase ID: 214744
• Molecular Formular: C24H21NO4
• Molecular Mass: 387.42784
• Monoisotopic Mass: 387.14705816
• SMILES: c1(c2c3c(c(co3)c3ccccc3)c(cc2oc(=O)c1CC(=O)NC1CC1)C)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)c1ccccc1)NC1CC1
• InChI: InChI=1S/C24H21NO4/c1-13-10-19-22(23-21(13)18(12-28-23)15-6-4-3-5-7-15)14(2)17(24(27)29-19)11-20(26)25-16-8-9-16/h3-7,10,12,16H,8-9,11H2,1-2H3,(H,25,26)
• InChIKey: UDPCNIWJOHMCLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164270654
• PubChem CID: 4968146

CALCULATED PROPERTIES

• Acid pKa: 14.625757
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8046997
• LogD (pH = 7.4): 3.8046997
• Log P: 3.8046997
• Molar Refractivity: 109.4027 cm^3
• Polarizability: 44.343113 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