3-[(2-{[(pyridin-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate
Chemical Structure Depiction of
3-[(2-{[(pyridin-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate
3-[(2-{[(pyridin-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate
Compound characteristics
| Compound ID: | Y500-5607 |
| Compound Name: | 3-[(2-{[(pyridin-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate |
| Molecular Weight: | 474.33 |
| Molecular Formula: | C19 H16 Br N5 O3 S |
| Smiles: | Cn1c(C(=O)Oc2cccc(/C=N/NC(CSc3ccccn3)=O)c2)c(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.4238 |
| logD: | 2.4236 |
| logSw: | -2.6723 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.643 |
| InChI Key: | JEKJGFNNQZCDCT-UHFFFAOYSA-N |