4-[2-(methoxymethyl)-4-(phenoxyacetyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[2-(methoxymethyl)-4-(phenoxyacetyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[2-(methoxymethyl)-4-(phenoxyacetyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5220 |
| Compound Name: | 4-[2-(methoxymethyl)-4-(phenoxyacetyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 433.43 |
| Molecular Formula: | C22 H22 F3 N3 O3 |
| Smiles: | COCC1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(COc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8845 |
| logD: | 2.8845 |
| logSw: | -3.3748 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.179 |
| InChI Key: | MRKHBBLWLBONGH-GOSISDBHSA-N |