4-[4-(1-ethyl-1H-pyrazole-4-sulfonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(1-ethyl-1H-pyrazole-4-sulfonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(1-ethyl-1H-pyrazole-4-sulfonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0248 |
| Compound Name: | 4-[4-(1-ethyl-1H-pyrazole-4-sulfonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 457.47 |
| Molecular Formula: | C19 H22 F3 N5 O3 S |
| Smiles: | CCn1cc(cn1)S(N1CCN(CC1COC)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6938 |
| logD: | 1.6938 |
| logSw: | -2.6141 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.548 |
| InChI Key: | NDYFQEDDSURSBX-MRXNPFEDSA-N |