2-oxo-4-(2-oxo-2H-chromen-3-yl)-2H-chromen-7-yl N,N-dimethylcarbamate

• ChemBase ID: 222752
• Molecular Formular: C21H15NO6
• Molecular Mass: 377.3469
• Monoisotopic Mass: 377.08993721
• SMILES: c1(c2c(=O)oc3c(c2)cccc3)c2c(oc(=O)c1)cc(OC(=O)N(C)C)cc2
• Canonical SMILES: O=C(N(C)C)Oc1ccc2c(c1)oc(=O)cc2c1cc2ccccc2oc1=O
• InChI: InChI=1S/C21H15NO6/c1-22(2)21(25)26-13-7-8-14-15(11-19(23)27-18(14)10-13)16-9-12-5-3-4-6-17(12)28-20(16)24/h3-11H,1-2H3
• InChIKey: DOYZODKUUCDFOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxo-4-(2-oxo-2H-chromen-3-yl)-2H-chromen-7-yl N,N-dimethylcarbamate
• IUPAC Traditional name: 2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl N,N-dimethylcarbamate

Database IDs

• PubChem SID: 164278662
• PubChem CID: 7198179

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6298687
• LogD (pH = 7.4): 2.6298687
• Log P: 2.6298687
• Molar Refractivity: 100.3346 cm^3
• Polarizability: 38.09665 Å^3
• Polar Surface Area: 82.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds