5-{[(4-methylphenyl)sulfanyl]methyl}-2-phenyl-4-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-{[(4-methylphenyl)sulfanyl]methyl}-2-phenyl-4-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
5-{[(4-methylphenyl)sulfanyl]methyl}-2-phenyl-4-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 5606-0586 |
| Compound Name: | 5-{[(4-methylphenyl)sulfanyl]methyl}-2-phenyl-4-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C27 H22 N4 O S |
| Smiles: | Cc1ccc(cc1)SCC1/C(=C/c2c[nH]nc2c2ccccc2)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5951 |
| logD: | 5.595 |
| logSw: | -5.4958 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.236 |
| InChI Key: | HJFLDLCPVKOWCZ-UHFFFAOYSA-N |