2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2-chloro-5-nitrophenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2-chloro-5-nitrophenyl)methylidene]acetohydrazide
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2-chloro-5-nitrophenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-1578 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2-chloro-5-nitrophenyl)methylidene]acetohydrazide |
| Molecular Weight: | 549.05 |
| Molecular Formula: | C27 H25 Cl N6 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N/N=C/c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1962 |
| logD: | 7.1941 |
| logSw: | -6.3641 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.468 |
| InChI Key: | JMASLHZBJHCXRH-UHFFFAOYSA-N |