2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]acetohydrazide
2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | Y508-2170 |
| Compound Name: | 2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]acetohydrazide |
| Molecular Weight: | 537.98 |
| Molecular Formula: | C24 H20 Cl N7 O4 S |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(N/N=C/c1cc(cc(c1O)[N+]([O-])=O)[Cl])=O)Nc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4539 |
| logD: | 3.5743 |
| logSw: | -4.4776 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.129 |
| InChI Key: | BJRKPTXRUMOKQT-UHFFFAOYSA-N |