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

• ChemBase ID: 205531
• Molecular Formular: C27H25NO4
• Molecular Mass: 427.4917
• Monoisotopic Mass: 427.17835829
• SMILES: c12c(c(c(c(=O)o1)C)C)cc1c(c2C)OCN(C1)c1ccc(OCc2ccccc2)cc1
• Canonical SMILES: O=c1oc2c(C)c3OCN(Cc3cc2c(c1C)C)c1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C27H25NO4/c1-17-18(2)27(29)32-26-19(3)25-21(13-24(17)26)14-28(16-31-25)22-9-11-23(12-10-22)30-15-20-7-5-4-6-8-20/h4-13H,14-16H2,1-3H3
• InChIKey: NAPSTGAUPMCDST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261441
• PubChem CID: 1773581

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.17195
• LogD (pH = 7.4): 6.17195
• Log P: 6.17195
• Molar Refractivity: 124.6496 cm^3
• Polarizability: 47.614246 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds