4-{4-[(3-fluorophenyl)acetyl]-3-(hydroxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{4-[(3-fluorophenyl)acetyl]-3-(hydroxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{4-[(3-fluorophenyl)acetyl]-3-(hydroxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
Compound ID: | S956-0026 |
Compound Name: | 4-{4-[(3-fluorophenyl)acetyl]-3-(hydroxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
Molecular Weight: | 421.39 |
Molecular Formula: | C21 H19 F4 N3 O2 |
Smiles: | [H]OCC1CN(CCN1C(Cc1cccc(c1)F)=O)c1ccc(C#N)c(c1)C(F)(F)F |
Stereo: | RACEMIC MIXTURE |
logP: | 2.9323 |
logD: | 2.9323 |
logSw: | -3.1686 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.371 |
InChI Key: | NSMLNPJFEBYPAU-GOSISDBHSA-N |