5-{4-[(3-bromophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2-chlorobenzoic acid
Chemical Structure Depiction of
5-{4-[(3-bromophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2-chlorobenzoic acid
5-{4-[(3-bromophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2-chlorobenzoic acid
Compound characteristics
| Compound ID: | 2082-0266 |
| Compound Name: | 5-{4-[(3-bromophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2-chlorobenzoic acid |
| Molecular Weight: | 419.66 |
| Molecular Formula: | C18 H12 Br Cl N2 O3 |
| Smiles: | CC1/C(=C/c2cccc(c2)[Br])C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5528 |
| logD: | 0.7497 |
| logSw: | -4.4351 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.995 |
| InChI Key: | FIIRZYXKAVKMJA-UHFFFAOYSA-N |