7-benzyl-3-(2,5-dimethylphenyl)-6,10-dimethyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase ID: 205603
• Molecular Formular: C28H27NO3
• Molecular Mass: 425.51888
• Monoisotopic Mass: 425.19909373
• SMILES: c12c(c(c(c(=O)o1)Cc1ccccc1)C)cc1c(c2C)OCN(c2c(ccc(c2)C)C)C1
• Canonical SMILES: Cc1ccc(c(c1)N1COc2c(C1)cc1c(c2C)oc(=O)c(c1C)Cc1ccccc1)C
• InChI: InChI=1S/C28H27NO3/c1-17-10-11-18(2)25(12-17)29-15-22-14-23-19(3)24(13-21-8-6-5-7-9-21)28(30)32-27(23)20(4)26(22)31-16-29/h5-12,14H,13,15-16H2,1-4H3
• InChIKey: PZTJCFWUMHVXEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-benzyl-3-(2,5-dimethylphenyl)-6,10-dimethyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one
• IUPAC Traditional name: 7-benzyl-3-(2,5-dimethylphenyl)-6,10-dimethyl-2H,4H-chromeno[6,7-e][1,3]oxazin-8-one

Database IDs

• PubChem SID: 164261513
• PubChem CID: 1773768

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 7.2103634
• LogD (pH = 7.4): 7.2103634
• Log P: 7.2103634
• Molar Refractivity: 128.3522 cm^3
• Polarizability: 48.645405 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