N-cyclopropyl-2-{2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}acetamide

• ChemBase ID: 214202
• Molecular Formular: C24H21NO4
• Molecular Mass: 387.42784
• Monoisotopic Mass: 387.14705816
• SMILES: c1(c(c2c(oc1=O)cc1c(c(c(o1)C)c1ccccc1)c2)C)CC(=O)NC1CC1
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1c1ccccc1)C)NC1CC1
• InChI: InChI=1S/C24H21NO4/c1-13-17-10-19-21(28-14(2)23(19)15-6-4-3-5-7-15)12-20(17)29-24(27)18(13)11-22(26)25-16-8-9-16/h3-7,10,12,16H,8-9,11H2,1-2H3,(H,25,26)
• InChIKey: OBMJNNRMJLRBTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-{2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}acetamide
• IUPAC Traditional name: N-cyclopropyl-2-{2,5-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl}acetamide

Database IDs

• PubChem SID: 164270112
• PubChem CID: 4869641

CALCULATED PROPERTIES

• Acid pKa: 14.632933
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4908397
• LogD (pH = 7.4): 3.4908397
• Log P: 3.4908397
• Molar Refractivity: 109.5112 cm^3
• Polarizability: 44.339226 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