3-(4-{[4-(benzyloxy)-3-chloro-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
3-(4-{[4-(benzyloxy)-3-chloro-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
3-(4-{[4-(benzyloxy)-3-chloro-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | Y500-0866 |
| Compound Name: | 3-(4-{[4-(benzyloxy)-3-chloro-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 476.92 |
| Molecular Formula: | C26 H21 Cl N2 O5 |
| Smiles: | CC1/C(=C\c2cc(c(c(c2)[Cl])OCc2ccccc2)OC)C(N(c2cccc(c2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7266 |
| logD: | 2.8407 |
| logSw: | -5.6152 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.026 |
| InChI Key: | AUNIZANZUUDFRO-UHFFFAOYSA-N |