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

• ChemBase ID: 207763
• Molecular Formular: C24H27NO3
• Molecular Mass: 377.47608
• Monoisotopic Mass: 377.19909373
• SMILES: N1(c2c(C(C)C)cccc2C)Cc2c(c(c3c(c(cc(=O)o3)CC)c2)C)OC1
• Canonical SMILES: CCc1cc(=O)oc2c1cc1CN(COc1c2C)c1c(C)cccc1C(C)C
• InChI: InChI=1S/C24H27NO3/c1-6-17-11-21(26)28-24-16(5)23-18(10-20(17)24)12-25(13-27-23)22-15(4)8-7-9-19(22)14(2)3/h7-11,14H,6,12-13H2,1-5H3
• InChIKey: BRVYVLMJZTWFCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263673
• PubChem CID: 1780801

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.4125967
• LogD (pH = 7.4): 6.4125967
• Log P: 6.4125967
• Molar Refractivity: 113.0497 cm^3
• Polarizability: 42.719643 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