4-[4-(2-chlorobenzene-1-sulfonyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(2-chlorobenzene-1-sulfonyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(2-chlorobenzene-1-sulfonyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5176 |
| Compound Name: | 4-[4-(2-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(c1ccccc1[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4573 |
| logD: | 3.4573 |
| logSw: | -3.8542 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.269 |
| InChI Key: | ITPWCBXHBHUZHD-MRXNPFEDSA-N |