1-(4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-3,5,5-trimethylhexan-1-one
Chemical Structure Depiction of
1-(4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-3,5,5-trimethylhexan-1-one
1-(4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-3,5,5-trimethylhexan-1-one
Compound characteristics
| Compound ID: | V017-0605 |
| Compound Name: | 1-(4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-3,5,5-trimethylhexan-1-one |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C22 H31 F N4 O2 |
| Salt: | not_available |
| Smiles: | CC(CC(N1CCN(CC1)Cc1nc(c2ccc(cc2)F)on1)=O)CC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9084 |
| logD: | 3.9084 |
| logSw: | -3.9351 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.839 |
| InChI Key: | STKMXTBOWGHAQN-MRXNPFEDSA-N |