2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2-chloro-6-fluorophenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2-chloro-6-fluorophenyl)methylidene]acetohydrazide
2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2-chloro-6-fluorophenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-2154 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2-chloro-6-fluorophenyl)methylidene]acetohydrazide |
| Molecular Weight: | 544.83 |
| Molecular Formula: | C23 H16 Br Cl F N5 O S |
| Smiles: | C(C(N/N=C/c1c(cccc1[Cl])F)=O)Sc1nnc(c2ccc(cc2)[Br])n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1009 |
| logD: | 6.0899 |
| logSw: | -6.1423 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.086 |
| InChI Key: | NRACXSLKYLVJHM-UHFFFAOYSA-N |