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

• ChemBase ID: 204076
• Molecular Formular: C20H19NO5
• Molecular Mass: 353.36856
• Monoisotopic Mass: 353.12632271
• SMILES: c12c3c(c(cc(=O)o3)C)ccc2OCN(C1)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)N1COc2c(C1)c1oc(=O)cc(c1cc2)C
• InChI: InChI=1S/C20H19NO5/c1-12-8-19(22)26-20-14(12)5-7-16-15(20)10-21(11-25-16)13-4-6-17(23-2)18(9-13)24-3/h4-9H,10-11H2,1-3H3
• InChIKey: UIWZTAXGVXQYMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164259986
• PubChem CID: 1767706

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.3808334
• LogD (pH = 7.4): 3.3808334
• Log P: 3.3808334
• Molar Refractivity: 97.1019 cm^3
• Polarizability: 36.945824 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds