5-{[(4-chlorophenyl)sulfanyl]methyl}-2-(4,6-dimethylpyrimidin-2-yl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-{[(4-chlorophenyl)sulfanyl]methyl}-2-(4,6-dimethylpyrimidin-2-yl)-2,4-dihydro-3H-pyrazol-3-one
5-{[(4-chlorophenyl)sulfanyl]methyl}-2-(4,6-dimethylpyrimidin-2-yl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 7752-0412 |
| Compound Name: | 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-(4,6-dimethylpyrimidin-2-yl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 346.84 |
| Molecular Formula: | C16 H15 Cl N4 O S |
| Smiles: | Cc1cc(C)nc(n1)N1C(CC(CSc2ccc(cc2)[Cl])=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1864 |
| logD: | 1.5549 |
| logSw: | -3.4563 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.509 |
| InChI Key: | FQMPDGPPPMKEGJ-UHFFFAOYSA-N |