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

• ChemBase ID: 205184
• Molecular Formular: C25H21NO3
• Molecular Mass: 383.43914
• Monoisotopic Mass: 383.15214354
• SMILES: c12c3CN(COc3ccc1c(cc(=O)o2)c1ccccc1)c1cc(ccc1)CC
• Canonical SMILES: CCc1cccc(c1)N1COc2c(C1)c1oc(=O)cc(c1cc2)c1ccccc1
• InChI: InChI=1S/C25H21NO3/c1-2-17-7-6-10-19(13-17)26-15-22-23(28-16-26)12-11-20-21(14-24(27)29-25(20)22)18-8-4-3-5-9-18/h3-14H,2,15-16H2,1H3
• InChIKey: UYCGFFPZJWGSHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261094
• PubChem CID: 1772180

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.78797
• LogD (pH = 7.4): 5.78797
• Log P: 5.78797
• Molar Refractivity: 123.0884 cm^3
• Polarizability: 43.258175 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