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

• ChemBase ID: 205655
• Molecular Formular: C25H21NO3
• Molecular Mass: 383.43914
• Monoisotopic Mass: 383.15214354
• SMILES: c12c3CN(COc3ccc1c(cc(=O)o2)c1ccccc1)c1cc(c(cc1)C)C
• Canonical SMILES: O=c1oc2c3CN(COc3ccc2c(c1)c1ccccc1)c1ccc(c(c1)C)C
• InChI: InChI=1S/C25H21NO3/c1-16-8-9-19(12-17(16)2)26-14-22-23(28-15-26)11-10-20-21(13-24(27)29-25(20)22)18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3
• InChIKey: YWYMTYRWANOWFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261565
• PubChem CID: 1774456

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.8568225
• LogD (pH = 7.4): 5.8568225
• Log P: 5.8568225
• Molar Refractivity: 123.5286 cm^3
• Polarizability: 43.17941 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