4-{3-[(benzyloxy)methyl]-4-[3-(1H-pyrazol-1-yl)propanoyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{3-[(benzyloxy)methyl]-4-[3-(1H-pyrazol-1-yl)propanoyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{3-[(benzyloxy)methyl]-4-[3-(1H-pyrazol-1-yl)propanoyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0654 |
| Compound Name: | 4-{3-[(benzyloxy)methyl]-4-[3-(1H-pyrazol-1-yl)propanoyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 497.52 |
| Molecular Formula: | C26 H26 F3 N5 O2 |
| Smiles: | C(Cn1cccn1)C(N1CCN(CC1COCc1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1743 |
| logD: | 3.1743 |
| logSw: | -3.4192 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 59.191 |
| InChI Key: | IBWMNAJFAOIRJV-HSZRJFAPSA-N |