4-[4-(3-chlorobenzene-1-sulfonyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(3-chlorobenzene-1-sulfonyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(3-chlorobenzene-1-sulfonyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5181 |
| Compound Name: | 4-[4-(3-chlorobenzene-1-sulfonyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 473.9 |
| Molecular Formula: | C20 H19 Cl F3 N3 O3 S |
| Smiles: | COCC1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)S(c1cccc(c1)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8932 |
| logD: | 3.8932 |
| logSw: | -4.3691 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.269 |
| InChI Key: | GIFIYIYTTXJCCO-QGZVFWFLSA-N |