5-(4-benzylidene-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-chlorobenzoic acid
Chemical Structure Depiction of
5-(4-benzylidene-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-chlorobenzoic acid
5-(4-benzylidene-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-chlorobenzoic acid
Compound characteristics
| Compound ID: | 8009-6094 |
| Compound Name: | 5-(4-benzylidene-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-chlorobenzoic acid |
| Molecular Weight: | 340.76 |
| Molecular Formula: | C18 H13 Cl N2 O3 |
| Smiles: | CC1/C(=C/c2ccccc2)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7748 |
| logD: | -0.0282 |
| logSw: | -3.9262 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.995 |
| InChI Key: | OXRQDOKWGLWLCH-UHFFFAOYSA-N |