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

• ChemBase ID: 207420
• Molecular Formular: C26H23NO3
• Molecular Mass: 397.46572
• Monoisotopic Mass: 397.1677936
• SMILES: c12c(c(c3c(c2)CN(CO3)Cc2ccc(cc2)C)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: Cc1ccc(cc1)CN1COc2c(C1)cc1c(c2C)oc(=O)cc1c1ccccc1
• InChI: InChI=1S/C26H23NO3/c1-17-8-10-19(11-9-17)14-27-15-21-12-23-22(20-6-4-3-5-7-20)13-24(28)30-26(23)18(2)25(21)29-16-27/h3-13H,14-16H2,1-2H3
• InChIKey: LKQBTMPAZYBWSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263330
• PubChem CID: 1779706

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.590306
• LogD (pH = 7.4): 5.688764
• Log P: 5.6901755
• Molar Refractivity: 127.6427 cm^3
• Polarizability: 45.419823 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