1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-(3-methylbenzene-1-sulfonyl)piperazine-2-carboxamide
Chemical Structure Depiction of
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-(3-methylbenzene-1-sulfonyl)piperazine-2-carboxamide
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-(3-methylbenzene-1-sulfonyl)piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-0292 |
| Compound Name: | 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-(3-methylbenzene-1-sulfonyl)piperazine-2-carboxamide |
| Molecular Weight: | 466.48 |
| Molecular Formula: | C21 H21 F3 N4 O3 S |
| Smiles: | Cc1cccc(c1)S(N1CCN(C(C1)C(NC)=O)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7105 |
| logD: | 2.7105 |
| logSw: | -3.3382 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.729 |
| InChI Key: | QDZIGPIQDKWIDB-IBGZPJMESA-N |