4-(8-methoxy-2-oxo-2H-chromen-3-yl)-2-oxo-2H-chromen-7-yl N,N-dimethylcarbamate

• ChemBase ID: 222778
• Molecular Formular: C22H17NO7
• Molecular Mass: 407.37288
• Monoisotopic Mass: 407.10050189
• SMILES: c1(c2c(=O)oc3c(c2)cccc3OC)c2c(oc(=O)c1)cc(OC(=O)N(C)C)cc2
• Canonical SMILES: COc1cccc2c1oc(=O)c(c2)c1cc(=O)oc2c1ccc(c2)OC(=O)N(C)C
• InChI: InChI=1S/C22H17NO7/c1-23(2)22(26)28-13-7-8-14-15(11-19(24)29-18(14)10-13)16-9-12-5-4-6-17(27-3)20(12)30-21(16)25/h4-11H,1-3H3
• InChIKey: VESZTSBBQCKRJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(8-methoxy-2-oxo-2H-chromen-3-yl)-2-oxo-2H-chromen-7-yl N,N-dimethylcarbamate
• IUPAC Traditional name: 4-(8-methoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl N,N-dimethylcarbamate

Database IDs

• PubChem SID: 164278688
• PubChem CID: 7198185

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4721973
• LogD (pH = 7.4): 2.4721973
• Log P: 2.4721973
• Molar Refractivity: 106.7978 cm^3
• Polarizability: 40.63896 Å^3
• Polar Surface Area: 91.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds