3-benzyl-4-methyl-9-(3-methylphenyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 205923
• Molecular Formular: C26H23NO3
• Molecular Mass: 397.46572
• Monoisotopic Mass: 397.1677936
• SMILES: c12c3CN(COc3ccc2c(c(c(=O)o1)Cc1ccccc1)C)c1cc(ccc1)C
• Canonical SMILES: Cc1cccc(c1)N1COc2c(C1)c1oc(=O)c(c(c1cc2)C)Cc1ccccc1
• InChI: InChI=1S/C26H23NO3/c1-17-7-6-10-20(13-17)27-15-23-24(29-16-27)12-11-21-18(2)22(26(28)30-25(21)23)14-19-8-4-3-5-9-19/h3-13H,14-16H2,1-2H3
• InChIKey: PCKVOYVWHURJLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzyl-4-methyl-9-(3-methylphenyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 3-benzyl-4-methyl-9-(3-methylphenyl)-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164261833
• PubChem CID: 1775367

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.1835203
• LogD (pH = 7.4): 6.1835203
• Log P: 6.1835203
• Molar Refractivity: 118.2698 cm^3
• Polarizability: 45.11172 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