5-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[(4-nitrophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[(4-nitrophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[(4-nitrophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8014-0739 |
| Compound Name: | 5-(3,5-dimethyl-1H-pyrazol-1-yl)-4-{[(4-nitrophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 343.36 |
| Molecular Formula: | C14 H13 N7 O2 S |
| Smiles: | Cc1cc(C)n(C2=NNC(N2/N=C/c2ccc(cc2)[N+]([O-])=O)=S)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.7507 |
| logD: | -1.3408 |
| logSw: | -2.3397 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.274 |
| InChI Key: | ZNHKQKGTDGIAHI-UHFFFAOYSA-N |