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

• ChemBase ID: 201492
• Molecular Formular: C20H19NO6
• Molecular Mass: 369.36796
• Monoisotopic Mass: 369.12123733
• SMILES: c1(c(=O)c2c(oc1)cc(OC(=O)N(C)C)cc2)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)c1coc2c(c1=O)ccc(c2)OC(=O)N(C)C
• InChI: InChI=1S/C20H19NO6/c1-21(2)20(23)27-13-6-7-14-17(10-13)26-11-15(19(14)22)12-5-8-16(24-3)18(9-12)25-4/h5-11H,1-4H3
• InChIKey: FDSZPLWXFDYAOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164257402
• PubChem CID: 1760160

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.7432933
• LogD (pH = 7.4): 2.7432933
• Log P: 2.7432933
• Molar Refractivity: 98.2691 cm^3
• Polarizability: 37.73969 Å^3
• Polar Surface Area: 74.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds