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

• ChemBase ID: 207713
• Molecular Formular: C25H21NO3
• Molecular Mass: 383.43914
• Monoisotopic Mass: 383.15214354
• SMILES: c12c3CN(COc3ccc1c(cc(=O)o2)c1ccccc1)C(c1ccccc1)C
• Canonical SMILES: O=c1cc(c2ccccc2)c2c(o1)c1CN(COc1cc2)C(c1ccccc1)C
• InChI: InChI=1S/C25H21NO3/c1-17(18-8-4-2-5-9-18)26-15-22-23(28-16-26)13-12-20-21(14-24(27)29-25(20)22)19-10-6-3-7-11-19/h2-14,17H,15-16H2,1H3
• InChIKey: CHRLZMUXVJBNLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263623
• PubChem CID: 3836008

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.9826446
• LogD (pH = 7.4): 5.0785375
• Log P: 5.079908
• Molar Refractivity: 121.9791 cm^3
• Polarizability: 43.730423 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