3-(2,2-diphenylethyl)-6,7,10-trimethyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase ID: 207465
• Molecular Formular: C28H27NO3
• Molecular Mass: 425.51888
• Monoisotopic Mass: 425.19909373
• SMILES: c12c(c(c(c(=O)o1)C)C)cc1c(c2C)OCN(C1)CC(c1ccccc1)c1ccccc1
• Canonical SMILES: O=c1oc2c(C)c3OCN(Cc3cc2c(c1C)C)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C28H27NO3/c1-18-19(2)28(30)32-27-20(3)26-23(14-24(18)27)15-29(17-31-26)16-25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-14,25H,15-17H2,1-3H3
• InChIKey: LPTYLJSDTZCXLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263375
• PubChem CID: 1779827

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.2170205
• LogD (pH = 7.4): 6.178178
• Log P: 6.225939
• Molar Refractivity: 127.0095 cm^3
• Polarizability: 49.11929 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