4-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-1-(3-methylbenzene-1-sulfonyl)piperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-1-(3-methylbenzene-1-sulfonyl)piperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-1-(3-methylbenzene-1-sulfonyl)piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5263 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-1-(3-methylbenzene-1-sulfonyl)piperazine-2-carboxamide |
| Molecular Weight: | 466.48 |
| Molecular Formula: | C21 H21 F3 N4 O3 S |
| Smiles: | Cc1cccc(c1)S(N1CCN(CC1C(NC)=O)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6696 |
| logD: | 2.6696 |
| logSw: | -3.2157 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.506 |
| InChI Key: | RZDYRXYPFUONMS-IBGZPJMESA-N |