4-(4-{[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(4-{[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
4-(4-{[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 2817-4711 |
| Compound Name: | 4-(4-{[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 575.17 |
| Molecular Formula: | C22 H13 Br2 N3 O6 |
| Smiles: | CC1/C(=C/c2ccc(c3c(cc(cc3[Br])[N+]([O-])=O)[Br])o2)C(N(c2ccc(cc2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1778 |
| logD: | 3.7826 |
| logSw: | -5.4182 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.946 |
| InChI Key: | WDAMFBKRXBJSOB-UHFFFAOYSA-N |