4-[4-(4-ethoxybenzene-1-sulfonyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(4-ethoxybenzene-1-sulfonyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(4-ethoxybenzene-1-sulfonyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5258 |
| Compound Name: | 4-[4-(4-ethoxybenzene-1-sulfonyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 483.51 |
| Molecular Formula: | C22 H24 F3 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)S(N1CCN(C(C1)COC)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6677 |
| logD: | 3.6677 |
| logSw: | -3.9928 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.393 |
| InChI Key: | XPKNVGFZTFBNAJ-GOSISDBHSA-N |