9-(2H-1,3-benzodioxol-5-yl)-4-methyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 205227
• Molecular Formular: C19H15NO5
• Molecular Mass: 337.3261
• Monoisotopic Mass: 337.09502259
• SMILES: c12c3c(c(cc(=O)o3)C)ccc2OCN(C1)c1cc2c(OCO2)cc1
• Canonical SMILES: O=c1cc(C)c2c(o1)c1CN(COc1cc2)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C19H15NO5/c1-11-6-18(21)25-19-13(11)3-5-15-14(19)8-20(9-22-15)12-2-4-16-17(7-12)24-10-23-16/h2-7H,8-10H2,1H3
• InChIKey: BLFQIHQYYQJTKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(2H-1,3-benzodioxol-5-yl)-4-methyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 9-(2H-1,3-benzodioxol-5-yl)-4-methyl-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164261137
• PubChem CID: 1772344

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.3194094
• LogD (pH = 7.4): 3.3194094
• Log P: 3.3194094
• Molar Refractivity: 89.9424 cm^3
• Polarizability: 34.385483 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds