2-methoxy-N-[2-(2-methoxyphenyl)-4-oxo-4H-chromen-6-yl]benzamide

• ChemBase ID: 220704
• Molecular Formular: C24H19NO5
• Molecular Mass: 401.41136
• Monoisotopic Mass: 401.12632271
• SMILES: c1(cc(=O)c2c(o1)ccc(NC(=O)c1c(OC)cccc1)c2)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1C(=O)Nc1ccc2c(c1)c(=O)cc(o2)c1ccccc1OC
• InChI: InChI=1S/C24H19NO5/c1-28-20-9-5-3-7-16(20)23-14-19(26)18-13-15(11-12-22(18)30-23)25-24(27)17-8-4-6-10-21(17)29-2/h3-14H,1-2H3,(H,25,27)
• InChIKey: QPXZDSLIHPECOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-[2-(2-methoxyphenyl)-4-oxo-4H-chromen-6-yl]benzamide
• IUPAC Traditional name: 2-methoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide

Database IDs

• PubChem SID: 164276614
• PubChem CID: 16825928

CALCULATED PROPERTIES

• Acid pKa: 10.318204
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.743921
• LogD (pH = 7.4): 3.7434294
• Log P: 3.7439275
• Molar Refractivity: 115.4311 cm^3
• Polarizability: 42.91145 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds