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

• ChemBase ID: 204210
• Molecular Formular: C22H23NO3
• Molecular Mass: 349.42292
• Monoisotopic Mass: 349.1677936
• SMILES: c12c(c(cc(=O)o2)CC)cc2c(c1C)OCN(C2)C(c1ccccc1)C
• Canonical SMILES: CCc1cc(=O)oc2c1cc1CN(COc1c2C)C(c1ccccc1)C
• InChI: InChI=1S/C22H23NO3/c1-4-16-11-20(24)26-22-14(2)21-18(10-19(16)22)12-23(13-25-21)15(3)17-8-6-5-7-9-17/h5-11,15H,4,12-13H2,1-3H3
• InChIKey: WWJFFTLQBPNILR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260120
• PubChem CID: 3430434

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.738705
• LogD (pH = 7.4): 4.901567
• Log P: 4.9040937
• Molar Refractivity: 102.3506 cm^3
• Polarizability: 39.57955 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds