2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-chloro-3-nitrophenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-chloro-3-nitrophenyl)methylidene]acetohydrazide
2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-chloro-3-nitrophenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-2117 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-chloro-3-nitrophenyl)methylidene]acetohydrazide |
| Molecular Weight: | 571.84 |
| Molecular Formula: | C23 H16 Br Cl N6 O3 S |
| Smiles: | C(C(N/N=C\c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)Sc1nnc(c2ccc(cc2)[Br])n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.695 |
| logD: | 5.6947 |
| logSw: | -6.1175 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.167 |
| InChI Key: | WJIBACCRHYZDDO-UHFFFAOYSA-N |