2-chloro-5-{4-[(3-methoxy-4-propoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
2-chloro-5-{4-[(3-methoxy-4-propoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
2-chloro-5-{4-[(3-methoxy-4-propoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 8008-6513 |
| Compound Name: | 2-chloro-5-{4-[(3-methoxy-4-propoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 428.87 |
| Molecular Formula: | C22 H21 Cl N2 O5 |
| Smiles: | CCCOc1ccc(/C=C2/C(C)=NN(C2=O)c2ccc(c(c2)C(O)=O)[Cl])cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.3912 |
| logD: | 0.5882 |
| logSw: | -4.4368 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.13 |
| InChI Key: | HWUCBDWFJQRGJH-UHFFFAOYSA-N |