3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one
3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | Y020-1697 |
| Compound Name: | 3-(4-chlorophenyl)-2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 395.91 |
| Molecular Formula: | C21 H18 Cl N3 O S |
| Smiles: | Cc1ccc(cc1)SCC1=CC(n2c(c(c3ccc(cc3)[Cl])c(C)n2)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9537 |
| logD: | 4.7426 |
| logSw: | -5.3162 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.537 |
| InChI Key: | CBACQDSQRIKWHA-UHFFFAOYSA-N |