5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3947-1891 |
| Compound Name: | 5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 450.94 |
| Molecular Formula: | C24 H19 Cl N2 O3 S |
| Smiles: | COc1cc(\C=C2/C(CSc3ccc(cc3)[Cl])=NN(C2=O)c2ccccc2)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 5.1059 |
| logD: | 5.101 |
| logSw: | -5.4284 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.224 |
| InChI Key: | GYXLMALDBDUNSH-UHFFFAOYSA-N |