3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-{[4-(trifluoromethoxy)phenyl]methyl}piperazin-2-one
Chemical Structure Depiction of
3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-{[4-(trifluoromethoxy)phenyl]methyl}piperazin-2-one
3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-{[4-(trifluoromethoxy)phenyl]methyl}piperazin-2-one
Compound characteristics
| Compound ID: | SD12-0456 |
| Compound Name: | 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-{[4-(trifluoromethoxy)phenyl]methyl}piperazin-2-one |
| Molecular Weight: | 432.4 |
| Molecular Formula: | C21 H19 F3 N4 O3 |
| Smiles: | C(C1C(NCCN1Cc1ccc(cc1)OC(F)(F)F)=O)c1nc(c2ccccc2)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.174 |
| logD: | 4.1608 |
| logSw: | -4.2382 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.695 |
| InChI Key: | XBUMLWYSGLTNPP-KRWDZBQOSA-N |