4-methyl-9-[2-methyl-6-(propan-2-yl)phenyl]-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 207789
• Molecular Formular: C22H23NO3
• Molecular Mass: 349.42292
• Monoisotopic Mass: 349.1677936
• SMILES: N1(Cc2c3c(c(cc(=O)o3)C)ccc2OC1)c1c(C(C)C)cccc1C
• Canonical SMILES: O=c1cc(C)c2c(o1)c1CN(COc1cc2)c1c(C)cccc1C(C)C
• InChI: InChI=1S/C22H23NO3/c1-13(2)16-7-5-6-14(3)21(16)23-11-18-19(25-12-23)9-8-17-15(4)10-20(24)26-22(17)18/h5-10,13H,11-12H2,1-4H3
• InChIKey: JDBYGBQSDVEHGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-9-[2-methyl-6-(propan-2-yl)phenyl]-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 9-(2-isopropyl-6-methylphenyl)-4-methyl-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164263699
• PubChem CID: 1780870

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.4546065
• LogD (pH = 7.4): 5.4546065
• Log P: 5.4546065
• Molar Refractivity: 103.4075 cm^3
• Polarizability: 39.10897 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