3-{[2-(2,4-dihydroxybenzoyl)hydrazinylidene]methyl}phenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
3-{[2-(2,4-dihydroxybenzoyl)hydrazinylidene]methyl}phenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
3-{[2-(2,4-dihydroxybenzoyl)hydrazinylidene]methyl}phenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y508-3227 |
| Compound Name: | 3-{[2-(2,4-dihydroxybenzoyl)hydrazinylidene]methyl}phenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 459.25 |
| Molecular Formula: | C19 H15 Br N4 O5 |
| Smiles: | Cn1cc(c(C(=O)Oc2cccc(/C=N/NC(c3ccc(cc3O)O)=O)c2)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.4011 |
| logD: | 2.3563 |
| logSw: | -2.828 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.453 |
| InChI Key: | ZEJOBOKCAFENHF-UHFFFAOYSA-N |