N-(4-acetylphenyl)-2-{[3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamide

• ChemBase ID: 219666
• Molecular Formular: C27H23NO7
• Molecular Mass: 473.47402
• Monoisotopic Mass: 473.14745208
• SMILES: c1(c(=O)c2c(oc1C)cc(OCC(=O)Nc1ccc(C(=O)C)cc1)cc2)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1Oc1c(C)oc2c(c1=O)ccc(c2)OCC(=O)Nc1ccc(cc1)C(=O)C
• InChI: InChI=1S/C27H23NO7/c1-16(29)18-8-10-19(11-9-18)28-25(30)15-33-20-12-13-21-24(14-20)34-17(2)27(26(21)31)35-23-7-5-4-6-22(23)32-3/h4-14H,15H2,1-3H3,(H,28,30)
• InChIKey: MWIGHIWHKJRBMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-acetylphenyl)-2-{[3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamide
• IUPAC Traditional name: N-(4-acetylphenyl)-2-{[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy}acetamide

Database IDs

• PubChem SID: 164275576
• PubChem CID: 16409557

CALCULATED PROPERTIES

• Acid pKa: 12.348216
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 3.5831716
• LogD (pH = 7.4): 3.5831668
• Log P: 3.5831716
• Molar Refractivity: 131.0256 cm^3
• Polarizability: 49.139572 Å^3
• Polar Surface Area: 100.16 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds