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

• ChemBase ID: 206130
• Molecular Formular: C24H19NO4
• Molecular Mass: 385.41196
• Monoisotopic Mass: 385.13140809
• SMILES: c12c3c(c(cc(=O)o3)C)ccc2OCN(C1)c1ccc(Oc2ccccc2)cc1
• Canonical SMILES: O=c1cc(C)c2c(o1)c1CN(COc1cc2)c1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C24H19NO4/c1-16-13-23(26)29-24-20(16)11-12-22-21(24)14-25(15-27-22)17-7-9-19(10-8-17)28-18-5-3-2-4-6-18/h2-13H,14-15H2,1H3
• InChIKey: VZUHOEOPQKZGTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164262040
• PubChem CID: 1806890

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.196463
• LogD (pH = 7.4): 5.196463
• Log P: 5.196463
• Molar Refractivity: 110.4163 cm^3
• Polarizability: 42.223 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds