4-[4-(2,5-difluorobenzoyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(2,5-difluorobenzoyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(2,5-difluorobenzoyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0161 |
| Compound Name: | 4-[4-(2,5-difluorobenzoyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 439.38 |
| Molecular Formula: | C21 H18 F5 N3 O2 |
| Smiles: | COCC1CN(CCN1C(c1cc(ccc1F)F)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6719 |
| logD: | 3.6719 |
| logSw: | -3.8585 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.207 |
| InChI Key: | YLQKDGQNUMQFNU-MRXNPFEDSA-N |