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

• ChemBase ID: 205894
• Molecular Formular: C26H23NO3
• Molecular Mass: 397.46572
• Monoisotopic Mass: 397.1677936
• SMILES: c12c(c(c3c(c2)CN(CO3)CCc2ccccc2)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: O=c1cc(c2ccccc2)c2c(o1)c(C)c1c(c2)CN(CO1)CCc1ccccc1
• InChI: InChI=1S/C26H23NO3/c1-18-25-21(16-27(17-29-25)13-12-19-8-4-2-5-9-19)14-23-22(15-24(28)30-26(18)23)20-10-6-3-7-11-20/h2-11,14-15H,12-13,16-17H2,1H3
• InChIKey: QZBZAKLBNMWZBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261804
• PubChem CID: 1775268

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.024703
• LogD (pH = 7.4): 5.4558992
• Log P: 5.4654155
• Molar Refractivity: 127.3565 cm^3
• Polarizability: 45.422977 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds