2,3-dibromo-4-(2-{5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}hydrazinylidene)but-2-enoic acid
Chemical Structure Depiction of
2,3-dibromo-4-(2-{5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}hydrazinylidene)but-2-enoic acid
2,3-dibromo-4-(2-{5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}hydrazinylidene)but-2-enoic acid
Compound characteristics
| Compound ID: | Y500-4779 |
| Compound Name: | 2,3-dibromo-4-(2-{5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}hydrazinylidene)but-2-enoic acid |
| Molecular Weight: | 508.55 |
| Molecular Formula: | C15 H13 Br2 Cl N4 O4 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(C(N/N=C/C(=C(/C(O)=O)[Br])[Br])=O)o2)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.8089 |
| logD: | -2.8164 |
| logSw: | -3.436 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.357 |
| InChI Key: | BPWYYCNBCJENFB-UHFFFAOYSA-N |