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

• ChemBase ID: 205318
• Molecular Formular: C25H21NO4
• Molecular Mass: 399.43854
• Monoisotopic Mass: 399.14705816
• SMILES: c12c3CN(COc3ccc1c(cc(=O)o2)c1ccc(cc1)OC)c1cc(ccc1)C
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)c1cccc(c1)C
• InChI: InChI=1S/C25H21NO4/c1-16-4-3-5-18(12-16)26-14-22-23(29-15-26)11-10-20-21(13-24(27)30-25(20)22)17-6-8-19(28-2)9-7-17/h3-13H,14-15H2,1-2H3
• InChIKey: CKPHUCOEQRIYNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261228
• PubChem CID: 1772680

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.18573
• LogD (pH = 7.4): 5.18573
• Log P: 5.18573
• Molar Refractivity: 124.9506 cm^3
• Polarizability: 43.92222 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