2-chloro-5-{4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
2-chloro-5-{4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
2-chloro-5-{4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 2082-0243 |
| Compound Name: | 2-chloro-5-{4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 445.81 |
| Molecular Formula: | C20 H16 Cl N3 O7 |
| Smiles: | CC1/C(=C/c2cc(c(cc2[N+]([O-])=O)OC)OC)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0301 |
| logD: | -0.773 |
| logSw: | -3.3946 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.336 |
| InChI Key: | CQWUJAVWBPTPCC-MLPAPPSSSA-N |