N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-methylphenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-methylphenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-methylphenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Compound characteristics
| Compound ID: | K977-0179 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-methylphenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide |
| Molecular Weight: | 481.61 |
| Molecular Formula: | C26 H31 N3 O4 S |
| Smiles: | Cc1cccc(CS(CC2C(Nc3cc(ccc3N2)C(NCCC2CCCCC=2)=O)=O)(=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5333 |
| logD: | 3.5329 |
| logSw: | -3.824 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.845 |
| InChI Key: | AJULCJXRZOHQIK-DEOSSOPVSA-N |