6-ethyl-10-methyl-3-(2,4,6-trimethylphenyl)-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase ID: 204622
• Molecular Formular: C23H25NO3
• Molecular Mass: 363.4495
• Monoisotopic Mass: 363.18344367
• SMILES: N1(c2c(cc(cc2C)C)C)Cc2c(c(c3c(c(cc(=O)o3)CC)c2)C)OC1
• Canonical SMILES: CCc1cc(=O)oc2c1cc1CN(COc1c2C)c1c(C)cc(cc1C)C
• InChI: InChI=1S/C23H25NO3/c1-6-17-10-20(25)27-23-16(5)22-18(9-19(17)23)11-24(12-26-22)21-14(3)7-13(2)8-15(21)4/h7-10H,6,11-12H2,1-5H3
• InChIKey: NMGASMPTECVZOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-10-methyl-3-(2,4,6-trimethylphenyl)-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one
• IUPAC Traditional name: 6-ethyl-10-methyl-3-(2,4,6-trimethylphenyl)-2H,4H-chromeno[6,7-e][1,3]oxazin-8-one

Database IDs

• PubChem SID: 164260532
• PubChem CID: 1769210

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.1944304
• LogD (pH = 7.4): 6.1944304
• Log P: 6.1944304
• Molar Refractivity: 108.9413 cm^3
• Polarizability: 40.79888 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