methyl 4-{[2-({[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-({[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
methyl 4-{[2-({[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 3254-2161 |
| Compound Name: | methyl 4-{[2-({[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate |
| Molecular Weight: | 550.43 |
| Molecular Formula: | C25 H20 Br N5 O3 S |
| Smiles: | COC(c1ccc(/C=N/NC(CSc2nnc(c3ccc(cc3)[Br])n2c2ccccc2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4146 |
| logD: | 5.4145 |
| logSw: | -5.5358 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.26 |
| InChI Key: | ONGQBDWNRSXDDD-UHFFFAOYSA-N |