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

• ChemBase ID: 206357
• Molecular Formular: C22H23NO3
• Molecular Mass: 349.42292
• Monoisotopic Mass: 349.1677936
• SMILES: c12c(c(cc(=O)o2)CC)cc2c(c1C)OCN(C2)CCc1ccccc1
• Canonical SMILES: CCc1cc(=O)oc2c1cc1CN(COc1c2C)CCc1ccccc1
• InChI: InChI=1S/C22H23NO3/c1-3-17-12-20(24)26-22-15(2)21-18(11-19(17)22)13-23(14-25-21)10-9-16-7-5-4-6-8-16/h4-8,11-12H,3,9-10,13-14H2,1-2H3
• InChIKey: POIXIUIFKXANAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164262267
• PubChem CID: 1807528

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.3263803
• LogD (pH = 7.4): 4.7663517
• Log P: 4.7761803
• Molar Refractivity: 102.6868 cm^3
• Polarizability: 39.504593 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds