2-chloro-5-(4-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(4-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
2-chloro-5-(4-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 2082-0276 |
| Compound Name: | 2-chloro-5-(4-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 486.27 |
| Molecular Formula: | C22 H13 Cl2 N3 O6 |
| Smiles: | CC1/C(=C/c2ccc(c3cc(ccc3[Cl])[N+]([O-])=O)o2)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3092 |
| logD: | 1.5061 |
| logSw: | -5.5898 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.946 |
| InChI Key: | ULBAOPROOQJSNU-UHFFFAOYSA-N |