3-(4-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
3-(4-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
3-(4-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 4285-2138 |
| Compound Name: | 3-(4-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 496.27 |
| Molecular Formula: | C22 H14 Br N3 O6 |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(cc3[Br])[N+]([O-])=O)o2)C(N(c2cccc(c2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4729 |
| logD: | 2.5871 |
| logSw: | -5.3728 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.946 |
| InChI Key: | PULXZJYQXYSHPR-UHFFFAOYSA-N |