4-[4-(2,5-dimethylbenzene-1-sulfonyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(2,5-dimethylbenzene-1-sulfonyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(2,5-dimethylbenzene-1-sulfonyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5236 |
| Compound Name: | 4-[4-(2,5-dimethylbenzene-1-sulfonyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 467.51 |
| Molecular Formula: | C22 H24 F3 N3 O3 S |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCN(C(C1)COC)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0588 |
| logD: | 4.0588 |
| logSw: | -4.1689 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.269 |
| InChI Key: | LEWOIPAWTYXRQF-LJQANCHMSA-N |