2-{[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}-N-(2-oxo-2H-chromen-6-yl)acetamide

• ChemBase ID: 217672
• Molecular Formular: C27H19NO7
• Molecular Mass: 469.44226
• Monoisotopic Mass: 469.11615195
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)Nc1cc3c(oc(=O)cc3)cc1)cc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2)OCC(=O)Nc1ccc2c(c1)ccc(=O)o2
• InChI: InChI=1S/C27H19NO7/c1-32-19-6-2-16(3-7-19)22-14-27(31)35-24-13-20(8-9-21(22)24)33-15-25(29)28-18-5-10-23-17(12-18)4-11-26(30)34-23/h2-14H,15H2,1H3,(H,28,29)
• InChIKey: RVAJMXBQJQDLCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}-N-(2-oxo-2H-chromen-6-yl)acetamide
• IUPAC Traditional name: 2-{[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy}-N-(2-oxochromen-6-yl)acetamide

Database IDs

• PubChem SID: 164273582
• PubChem CID: 16407670

CALCULATED PROPERTIES

• Acid pKa: 12.6248
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.6236145
• LogD (pH = 7.4): 3.6236122
• Log P: 3.6236145
• Molar Refractivity: 137.8802 cm^3
• Polarizability: 48.338615 Å^3
• Polar Surface Area: 100.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds