4-{2-(methoxymethyl)-4-[(4-methylphenyl)acetyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{2-(methoxymethyl)-4-[(4-methylphenyl)acetyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{2-(methoxymethyl)-4-[(4-methylphenyl)acetyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5150 |
| Compound Name: | 4-{2-(methoxymethyl)-4-[(4-methylphenyl)acetyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 431.46 |
| Molecular Formula: | C23 H24 F3 N3 O2 |
| Smiles: | Cc1ccc(CC(N2CCN(C(C2)COC)c2ccc(C#N)c(c2)C(F)(F)F)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8346 |
| logD: | 3.8346 |
| logSw: | -3.9587 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 44.679 |
| InChI Key: | MHTQWTHYYYBHGO-HXUWFJFHSA-N |