2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2-nitrophenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2-nitrophenyl)methylidene]acetohydrazide
2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2-nitrophenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-2132 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2-nitrophenyl)methylidene]acetohydrazide |
| Molecular Weight: | 537.39 |
| Molecular Formula: | C23 H17 Br N6 O3 S |
| Smiles: | C(C(N/N=C/c1ccccc1[N+]([O-])=O)=O)Sc1nnc(c2ccc(cc2)[Br])n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4037 |
| logD: | 5.4013 |
| logSw: | -5.7745 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.167 |
| InChI Key: | TXDNGPQLFYYUMY-UHFFFAOYSA-N |