3-(2,4-dimethylphenyl)-6-ethyl-10-methyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase ID: 205385
• Molecular Formular: C22H23NO3
• Molecular Mass: 349.42292
• Monoisotopic Mass: 349.1677936
• SMILES: c12c(c(cc(=O)o2)CC)cc2c(c1C)OCN(c1c(cc(cc1)C)C)C2
• Canonical SMILES: CCc1cc(=O)oc2c1cc1CN(COc1c2C)c1ccc(cc1C)C
• InChI: InChI=1S/C22H23NO3/c1-5-16-10-20(24)26-22-15(4)21-17(9-18(16)22)11-23(12-25-21)19-7-6-13(2)8-14(19)3/h6-10H,5,11-12H2,1-4H3
• InChIKey: GOIJVXFTSNHPEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,4-dimethylphenyl)-6-ethyl-10-methyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one
• IUPAC Traditional name: 3-(2,4-dimethylphenyl)-6-ethyl-10-methyl-2H,4H-chromeno[6,7-e][1,3]oxazin-8-one

Database IDs

• PubChem SID: 164261295
• PubChem CID: 1772940

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.681009
• LogD (pH = 7.4): 5.681009
• Log P: 5.681009
• Molar Refractivity: 103.9001 cm^3
• Polarizability: 39.03363 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds