7-benzyl-6,10-dimethyl-3-(4-phenoxyphenyl)-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase ID: 204660
• Molecular Formular: C32H27NO4
• Molecular Mass: 489.56108
• Monoisotopic Mass: 489.19400835
• SMILES: c12c(c(c(c(=O)o1)Cc1ccccc1)C)cc1c(c2C)OCN(C1)c1ccc(Oc2ccccc2)cc1
• Canonical SMILES: Cc1c2OCN(Cc2cc2c1oc(=O)c(c2C)Cc1ccccc1)c1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C32H27NO4/c1-21-28-18-24-19-33(25-13-15-27(16-14-25)36-26-11-7-4-8-12-26)20-35-30(24)22(2)31(28)37-32(34)29(21)17-23-9-5-3-6-10-23/h3-16,18H,17,19-20H2,1-2H3
• InChIKey: UGPIXTJOFJUOEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260570
• PubChem CID: 1769329

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 7.683808
• LogD (pH = 7.4): 7.683808
• Log P: 7.683808
• Molar Refractivity: 144.5106 cm^3
• Polarizability: 55.44422 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds