2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-({2-[(4-nitrophenyl)methoxy]phenyl}methylidene)acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-({2-[(4-nitrophenyl)methoxy]phenyl}methylidene)acetohydrazide
2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-({2-[(4-nitrophenyl)methoxy]phenyl}methylidene)acetohydrazide
Compound characteristics
| Compound ID: | Y508-4241 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-({2-[(4-nitrophenyl)methoxy]phenyl}methylidene)acetohydrazide |
| Molecular Weight: | 581.45 |
| Molecular Formula: | C25 H21 Br N6 O4 S |
| Smiles: | Cn1c(c2ccc(cc2)[Br])nnc1SCC(N/N=C\c1ccccc1OCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8111 |
| logD: | 5.8111 |
| logSw: | -5.6204 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.12 |
| InChI Key: | DBKNGHMASAZLRX-UHFFFAOYSA-N |