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

• ChemBase ID: 204361
• Molecular Formular: C22H23NO3
• Molecular Mass: 349.42292
• Monoisotopic Mass: 349.1677936
• SMILES: c12c(c(c(c(=O)o1)C)C)cc1c(c2C)OCN(C1)C(c1ccccc1)C
• Canonical SMILES: CC(c1ccccc1)N1COc2c(C1)cc1c(c2C)oc(=O)c(c1C)C
• InChI: InChI=1S/C22H23NO3/c1-13-14(2)22(24)26-21-15(3)20-18(10-19(13)21)11-23(12-25-20)16(4)17-8-6-5-7-9-17/h5-10,16H,11-12H2,1-4H3
• InChIKey: NOWIEVGAHHVHMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260271
• PubChem CID: 3791801

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.690258
• LogD (pH = 7.4): 4.852559
• Log P: 4.855076
• Molar Refractivity: 102.1067 cm^3
• Polarizability: 39.579426 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds