3-(4-bromophenyl)-2-(4-nitrophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1-thione
Chemical Structure Depiction of
3-(4-bromophenyl)-2-(4-nitrophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1-thione
3-(4-bromophenyl)-2-(4-nitrophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1-thione
Compound characteristics
| Compound ID: | 8013-2561 |
| Compound Name: | 3-(4-bromophenyl)-2-(4-nitrophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1-thione |
| Molecular Weight: | 419.3 |
| Molecular Formula: | C17 H15 Br N4 O2 S |
| Smiles: | C1CN2C(c3ccc(cc3)[Br])N(C(N2C1)=S)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2214 |
| logD: | 4.2214 |
| logSw: | -4.2339 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.314 |
| InChI Key: | DTKDZTRLCCSDEB-INIZCTEOSA-N |