4-{3-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
4-{3-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
4-{3-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 4410-3725 |
| Compound Name: | 4-{3-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 312.34 |
| Molecular Formula: | C16 H12 N2 O3 S |
| Smiles: | CC1/C(=C/c2cccs2)C(N(c2ccc(cc2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9807 |
| logD: | 0.5855 |
| logSw: | -3.1676 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.013 |
| InChI Key: | PUKRTSOVAYQRPV-UHFFFAOYSA-N |