5-(4-tert-butylphenyl)-3-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-1,3,4-oxadiazole-2(3H)-thione
Chemical Structure Depiction of
5-(4-tert-butylphenyl)-3-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-1,3,4-oxadiazole-2(3H)-thione
5-(4-tert-butylphenyl)-3-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-1,3,4-oxadiazole-2(3H)-thione
Compound characteristics
| Compound ID: | 8008-7454 |
| Compound Name: | 5-(4-tert-butylphenyl)-3-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-1,3,4-oxadiazole-2(3H)-thione |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C23 H27 N5 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=NN(CN2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)C(O1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.5596 |
| logD: | 5.5207 |
| logSw: | -5.4859 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.257 |
| InChI Key: | UOHMUQNGNHOPRL-UHFFFAOYSA-N |