N-[1-(4-acetamidoanilino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[1-(4-acetamidoanilino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
N-[1-(4-acetamidoanilino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C155-0182 |
| Compound Name: | N-[1-(4-acetamidoanilino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide |
| Molecular Weight: | 405.56 |
| Molecular Formula: | C21 H31 N3 O3 S |
| Smiles: | CC1CCC(CC1)C(NC(CCSC)C(Nc1ccc(cc1)NC(C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9645 |
| logD: | 3.9645 |
| logSw: | -3.9303 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.099 |
| InChI Key: | WFRJAKKCGTYFIT-KJXMEXGPSA-N |