4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(2,5-dimethylbenzene-1-sulfonyl)-N-methylpiperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(2,5-dimethylbenzene-1-sulfonyl)-N-methylpiperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(2,5-dimethylbenzene-1-sulfonyl)-N-methylpiperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5243 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(2,5-dimethylbenzene-1-sulfonyl)-N-methylpiperazine-2-carboxamide |
| Molecular Weight: | 480.51 |
| Molecular Formula: | C22 H23 F3 N4 O3 S |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCN(CC1C(NC)=O)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0367 |
| logD: | 3.0367 |
| logSw: | -3.3783 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.506 |
| InChI Key: | YXRJZSMXAIRFCI-IBGZPJMESA-N |