2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-N-(4-phenoxyphenyl)acetamide

• ChemBase ID: 196305
• Molecular Formular: C29H21NO5
• Molecular Mass: 463.48074
• Monoisotopic Mass: 463.14197278
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)Nc1ccc(Oc3ccccc3)cc1)cc2)c1ccccc1
• Canonical SMILES: O=C(Nc1ccc(cc1)Oc1ccccc1)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C29H21NO5/c31-28(30-21-11-13-23(14-12-21)34-22-9-5-2-6-10-22)19-33-24-15-16-25-26(20-7-3-1-4-8-20)18-29(32)35-27(25)17-24/h1-18H,19H2,(H,30,31)
• InChIKey: RRDDXNQDLKJCEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-N-(4-phenoxyphenyl)acetamide
• IUPAC Traditional name: 2-[(2-oxo-4-phenylchromen-7-yl)oxy]-N-(4-phenoxyphenyl)acetamide

Database IDs

• PubChem SID: 164252215
• PubChem CID: 1679985

CALCULATED PROPERTIES

• Acid pKa: 12.679757
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.4714594
• LogD (pH = 7.4): 5.471457
• Log P: 5.4714594
• Molar Refractivity: 142.1672 cm^3
• Polarizability: 50.760216 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds