2-chloro-5-{3-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
2-chloro-5-{3-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
2-chloro-5-{3-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 8009-4061 |
| Compound Name: | 2-chloro-5-{3-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 346.79 |
| Molecular Formula: | C16 H11 Cl N2 O3 S |
| Smiles: | CC1/C(=C\c2cccs2)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3158 |
| logD: | -0.4873 |
| logSw: | -3.5189 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.013 |
| InChI Key: | IPGORUFBIQIASW-UHFFFAOYSA-N |