4-{3-[(benzyloxy)methyl]-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{3-[(benzyloxy)methyl]-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{3-[(benzyloxy)methyl]-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0641 |
| Compound Name: | 4-{3-[(benzyloxy)methyl]-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 484.48 |
| Molecular Formula: | C25 H23 F3 N4 O3 |
| Smiles: | Cc1c(C(N2CCN(CC2COCc2ccccc2)c2ccc(C#N)c(c2)C(F)(F)F)=O)ocn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4784 |
| logD: | 3.4784 |
| logSw: | -3.8303 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.86 |
| InChI Key: | RKGFIIWMSOTSEW-OAQYLSRUSA-N |