2-chloro-5-(3-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(3-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
2-chloro-5-(3-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 8009-4185 |
| Compound Name: | 2-chloro-5-(3-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 386.85 |
| Molecular Formula: | C19 H15 Cl N2 O3 S |
| Smiles: | CC1/C(=C/c2ccc(cc2)SC)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4898 |
| logD: | 0.6868 |
| logSw: | -4.4743 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.995 |
| InChI Key: | DBLQZSFXVCRUNY-UHFFFAOYSA-N |