4-[2-(hydroxymethyl)-4-(3-methoxybenzoyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[2-(hydroxymethyl)-4-(3-methoxybenzoyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[2-(hydroxymethyl)-4-(3-methoxybenzoyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5040 |
| Compound Name: | 4-[2-(hydroxymethyl)-4-(3-methoxybenzoyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 419.4 |
| Molecular Formula: | C21 H20 F3 N3 O3 |
| Smiles: | [H]OCC1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(c1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5022 |
| logD: | 2.5022 |
| logSw: | -2.8771 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.442 |
| InChI Key: | WLDITDLQFQSPML-QGZVFWFLSA-N |