2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-({2-[(3-bromophenyl)methoxy]phenyl}methylidene)acetohydrazide
Chemical Structure Depiction of
2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-({2-[(3-bromophenyl)methoxy]phenyl}methylidene)acetohydrazide
2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-({2-[(3-bromophenyl)methoxy]phenyl}methylidene)acetohydrazide
Compound characteristics
| Compound ID: | Y508-2902 |
| Compound Name: | 2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-({2-[(3-bromophenyl)methoxy]phenyl}methylidene)acetohydrazide |
| Molecular Weight: | 627.56 |
| Molecular Formula: | C31 H27 Br N6 O2 S |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(N/N=C\c1ccccc1OCc1cccc(c1)[Br])=O)Nc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.4906 |
| logD: | 6.4906 |
| logSw: | -6.0691 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.883 |
| InChI Key: | ZVMHFSDIGISCIN-UHFFFAOYSA-N |