4-ethyl-9-(2,4,6-trimethylphenyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 206104
• Molecular Formular: C22H23NO3
• Molecular Mass: 349.42292
• Monoisotopic Mass: 349.1677936
• SMILES: N1(Cc2c3c(c(cc(=O)o3)CC)ccc2OC1)c1c(cc(cc1C)C)C
• Canonical SMILES: CCc1cc(=O)oc2c1ccc1c2CN(CO1)c1c(C)cc(cc1C)C
• InChI: InChI=1S/C22H23NO3/c1-5-16-10-20(24)26-22-17(16)6-7-19-18(22)11-23(12-25-19)21-14(3)8-13(2)9-15(21)4/h6-10H,5,11-12H2,1-4H3
• InChIKey: ORXFHZJZBANLTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-9-(2,4,6-trimethylphenyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 4-ethyl-9-(2,4,6-trimethylphenyl)-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164262014
• PubChem CID: 1806802

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: 39.03163 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