4-phenyl-9-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 207341
• Molecular Formular: C27H23NO3
• Molecular Mass: 409.47642
• Monoisotopic Mass: 409.1677936
• SMILES: c12c3CN(C4c5c(CCC4)cccc5)COc3ccc1c(cc(=O)o2)c1ccccc1
• Canonical SMILES: O=c1oc2c3CN(COc3ccc2c(c1)c1ccccc1)C1CCCc2c1cccc2
• InChI: InChI=1S/C27H23NO3/c29-26-15-22(19-7-2-1-3-8-19)21-13-14-25-23(27(21)31-26)16-28(17-30-25)24-12-6-10-18-9-4-5-11-20(18)24/h1-5,7-9,11,13-15,24H,6,10,12,16-17H2
• InChIKey: QEBWAYKHRDTLSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-9-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 4-phenyl-9-(1,2,3,4-tetrahydronaphthalen-1-yl)-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164263251
• PubChem CID: 4593610

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.4250436
• LogD (pH = 7.4): 5.6483855
• Log P: 5.652126
• Molar Refractivity: 129.7421 cm^3
• Polarizability: 46.60507 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds