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

• ChemBase ID: 204883
• Molecular Formular: C22H23NO3
• Molecular Mass: 349.42292
• Monoisotopic Mass: 349.1677936
• SMILES: c12c(c(cc(=O)o2)CC)cc2c(c1C)OCN(C2)c1cc(ccc1)CC
• Canonical SMILES: CCc1cc(=O)oc2c1cc1CN(COc1c2C)c1cccc(c1)CC
• InChI: InChI=1S/C22H23NO3/c1-4-15-7-6-8-18(9-15)23-12-17-10-19-16(5-2)11-20(24)26-22(19)14(3)21(17)25-13-23/h6-11H,4-5,12-13H2,1-3H3
• InChIKey: YJDHOJVYRXOEEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260793
• PubChem CID: 1771230

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.612156
• LogD (pH = 7.4): 5.612156
• Log P: 5.612156
• Molar Refractivity: 103.4599 cm^3
• Polarizability: 39.111473 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds