4-[2-(methoxymethyl)-4-(thiophene-2-sulfonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[2-(methoxymethyl)-4-(thiophene-2-sulfonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[2-(methoxymethyl)-4-(thiophene-2-sulfonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5178 |
| Compound Name: | 4-[2-(methoxymethyl)-4-(thiophene-2-sulfonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 445.48 |
| Molecular Formula: | C18 H18 F3 N3 O3 S2 |
| Smiles: | COCC1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)S(c1cccs1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9052 |
| logD: | 2.9052 |
| logSw: | -3.4053 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.288 |
| InChI Key: | GKPKOMVOLUCVRD-OAHLLOKOSA-N |