2-chloro-5-{4-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
2-chloro-5-{4-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
2-chloro-5-{4-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 8009-4519 |
| Compound Name: | 2-chloro-5-{4-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 512.69 |
| Molecular Formula: | C19 H14 Cl I N2 O5 |
| Smiles: | CC1/C(=C/c2cc(c(c(c2)I)O)OC)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.203 |
| logD: | 0.3999 |
| logSw: | -4.3505 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.104 |
| InChI Key: | HHUBOJDVZCVQAB-UHFFFAOYSA-N |