4-{4-[(4-bromophenyl)acetyl]-2-(hydroxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{4-[(4-bromophenyl)acetyl]-2-(hydroxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{4-[(4-bromophenyl)acetyl]-2-(hydroxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5041 |
| Compound Name: | 4-{4-[(4-bromophenyl)acetyl]-2-(hydroxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 482.3 |
| Molecular Formula: | C21 H19 Br F3 N3 O2 |
| Smiles: | [H]OCC1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(Cc1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6687 |
| logD: | 3.6687 |
| logSw: | -3.9828 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.371 |
| InChI Key: | AHFOLPIBFYBWEG-GOSISDBHSA-N |