4-[4-(3-fluoro-4-methoxybenzoyl)-2-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(3-fluoro-4-methoxybenzoyl)-2-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(3-fluoro-4-methoxybenzoyl)-2-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5035 |
| Compound Name: | 4-[4-(3-fluoro-4-methoxybenzoyl)-2-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 437.39 |
| Molecular Formula: | C21 H19 F4 N3 O3 |
| Smiles: | [H]OCC1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(c1ccc(c(c1)F)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5506 |
| logD: | 2.5506 |
| logSw: | -2.9404 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.528 |
| InChI Key: | BNPPTEAKCWXCAR-MRXNPFEDSA-N |