5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3947-1893 |
| Compound Name: | 5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 464.97 |
| Molecular Formula: | C25 H21 Cl N2 O3 S |
| Smiles: | CCOc1cc(\C=C2/C(CSc3ccc(cc3)[Cl])=NN(C2=O)c2ccccc2)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 5.6247 |
| logD: | 5.6221 |
| logSw: | -5.8214 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.804 |
| InChI Key: | UANXLJATAGSYCD-UHFFFAOYSA-N |