2-(2-{2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}acetamido)benzamide

• ChemBase ID: 220028
• Molecular Formular: C29H24N2O5
• Molecular Mass: 480.51126
• Monoisotopic Mass: 480.16852188
• SMILES: c12c(c(c(c(=O)o1)CC(=O)Nc1c(C(=O)N)cccc1)C)cc1c(oc(c1c1ccccc1)C)c2C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1c1ccccc1)C)Nc1ccccc1C(=O)N
• InChI: InChI=1S/C29H24N2O5/c1-15-20-13-22-25(18-9-5-4-6-10-18)17(3)35-27(22)16(2)26(20)36-29(34)21(15)14-24(32)31-23-12-8-7-11-19(23)28(30)33/h4-13H,14H2,1-3H3,(H2,30,33)(H,31,32)
• InChIKey: OSRVIZLFEMPLQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-{2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}acetamido)benzamide
• IUPAC Traditional name: 2-(2-{2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl}acetamido)benzamide

Database IDs

• PubChem SID: 164275938
• PubChem CID: 17571888

CALCULATED PROPERTIES

• Acid pKa: 10.908802
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 5.0569034
• LogD (pH = 7.4): 5.0567713
• Log P: 5.0569053
• Molar Refractivity: 137.978 cm^3
• Polarizability: 53.709034 Å^3
• Polar Surface Area: 111.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds