3-(4-methoxyphenyl)-2-(4-nitrophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1-thione
Chemical Structure Depiction of
3-(4-methoxyphenyl)-2-(4-nitrophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1-thione
3-(4-methoxyphenyl)-2-(4-nitrophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1-thione
Compound characteristics
| Compound ID: | 8013-1601 |
| Compound Name: | 3-(4-methoxyphenyl)-2-(4-nitrophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1-thione |
| Molecular Weight: | 370.43 |
| Molecular Formula: | C18 H18 N4 O3 S |
| Smiles: | COc1ccc(cc1)C1N(C(N2CCCN12)=S)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3699 |
| logD: | 3.3699 |
| logSw: | -3.5742 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.858 |
| InChI Key: | ZPKSFXNEHUQBID-QGZVFWFLSA-N |