4-(1-benzofuran-2-yl)-2-oxo-2H-chromen-6-yl N,N-dimethylcarbamate

• ChemBase ID: 223243
• Molecular Formular: C20H15NO5
• Molecular Mass: 349.3368
• Monoisotopic Mass: 349.09502259
• SMILES: c1(c2c3c(oc(=O)c2)ccc(OC(=O)N(C)C)c3)oc2c(c1)cccc2
• Canonical SMILES: O=c1oc2ccc(cc2c(c1)c1cc2c(o1)cccc2)OC(=O)N(C)C
• InChI: InChI=1S/C20H15NO5/c1-21(2)20(23)24-13-7-8-17-14(10-13)15(11-19(22)26-17)18-9-12-5-3-4-6-16(12)25-18/h3-11H,1-2H3
• InChIKey: OQEQPVUDFLODBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-benzofuran-2-yl)-2-oxo-2H-chromen-6-yl N,N-dimethylcarbamate
• IUPAC Traditional name: 4-(1-benzofuran-2-yl)-2-oxochromen-6-yl N,N-dimethylcarbamate

Database IDs

• PubChem SID: 164279153
• PubChem CID: 7295510

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0167503
• LogD (pH = 7.4): 3.0167503
• Log P: 3.0167503
• Molar Refractivity: 103.4224 cm^3
• Polarizability: 37.062237 Å^3
• Polar Surface Area: 68.98 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds