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

• ChemBase ID: 200726
• Molecular Formular: C19H17NO4
• Molecular Mass: 323.34258
• Monoisotopic Mass: 323.11575803
• SMILES: c12c3oc(=O)ccc3ccc1OCN(C2)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN1COc2c(C1)c1oc(=O)ccc1cc2
• InChI: InChI=1S/C19H17NO4/c1-22-15-6-2-13(3-7-15)10-20-11-16-17(23-12-20)8-4-14-5-9-18(21)24-19(14)16/h2-9H,10-12H2,1H3
• InChIKey: WZZFJUBOVAHKCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164256636
• PubChem CID: 908599

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0370634
• LogD (pH = 7.4): 3.0719988
• Log P: 3.072463
• Molar Refractivity: 90.4708 cm^3
• Polarizability: 34.799065 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds