4-{3-[(benzyloxy)methyl]-4-(1-methyl-1H-imidazole-2-carbonyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{3-[(benzyloxy)methyl]-4-(1-methyl-1H-imidazole-2-carbonyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{3-[(benzyloxy)methyl]-4-(1-methyl-1H-imidazole-2-carbonyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0653 |
| Compound Name: | 4-{3-[(benzyloxy)methyl]-4-(1-methyl-1H-imidazole-2-carbonyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 483.49 |
| Molecular Formula: | C25 H24 F3 N5 O2 |
| Smiles: | Cn1ccnc1C(N1CCN(CC1COCc1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0961 |
| logD: | 3.0961 |
| logSw: | -3.3146 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 57.283 |
| InChI Key: | IPLGGJGLQHTLGO-OAQYLSRUSA-N |