4-[4-(5-fluoro-2-methylbenzene-1-sulfonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(5-fluoro-2-methylbenzene-1-sulfonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(5-fluoro-2-methylbenzene-1-sulfonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0175 |
| Compound Name: | 4-[4-(5-fluoro-2-methylbenzene-1-sulfonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 471.47 |
| Molecular Formula: | C21 H21 F4 N3 O3 S |
| Smiles: | Cc1ccc(cc1S(N1CCN(CC1COC)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6667 |
| logD: | 3.6667 |
| logSw: | -3.9092 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.046 |
| InChI Key: | VUTVGHMYGZOTJG-GOSISDBHSA-N |