4-[2-(methoxymethyl)-4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[2-(methoxymethyl)-4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[2-(methoxymethyl)-4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5263 |
| Compound Name: | 4-[2-(methoxymethyl)-4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 481.54 |
| Molecular Formula: | C23 H26 F3 N3 O3 S |
| Smiles: | Cc1cc(C)c(cc1C)S(N1CCN(C(C1)COC)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6311 |
| logD: | 4.6311 |
| logSw: | -4.4866 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.269 |
| InChI Key: | JQSJJJSDNPGOPI-HXUWFJFHSA-N |