2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | E984-2623 |
| Compound Name: | 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 440.95 |
| Molecular Formula: | C22 H21 Cl N4 O2 S |
| Smiles: | CSc1ccc(CNC(CN2C(CCn3c2cc(c2cccc(c2)[Cl])n3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1647 |
| logD: | 4.1647 |
| logSw: | -4.4017 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.492 |
| InChI Key: | MYWJKHVFZHHLOS-UHFFFAOYSA-N |