3-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-{[4-(trifluoromethyl)phenyl]methyl}piperazin-2-one
Chemical Structure Depiction of
3-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-{[4-(trifluoromethyl)phenyl]methyl}piperazin-2-one
3-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-{[4-(trifluoromethyl)phenyl]methyl}piperazin-2-one
Compound characteristics
| Compound ID: | SD12-0355 |
| Compound Name: | 3-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-{[4-(trifluoromethyl)phenyl]methyl}piperazin-2-one |
| Molecular Weight: | 417.39 |
| Molecular Formula: | C20 H18 F3 N5 O2 |
| Smiles: | C(C1C(NCCN1Cc1ccc(cc1)C(F)(F)F)=O)c1nc(c2ccncc2)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7115 |
| logD: | 2.6341 |
| logSw: | -2.8559 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.187 |
| InChI Key: | OLHXJRHWLPTGQE-INIZCTEOSA-N |