5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(4-methoxyanilino)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(4-methoxyanilino)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(4-methoxyanilino)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8017-2393 |
| Compound Name: | 5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(4-methoxyanilino)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 449.96 |
| Molecular Formula: | C24 H20 Cl N3 O2 S |
| Smiles: | COc1ccc(cc1)N/C=C1\C(CSc2ccc(cc2)[Cl])=NN(C1=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.591 |
| logD: | 5.5204 |
| logSw: | -5.9378 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.19 |
| InChI Key: | HYYKKVKIIXTCSG-UHFFFAOYSA-N |