4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)benzamide
Chemical Structure Depiction of
4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)benzamide
4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)benzamide
Compound characteristics
| Compound ID: | E856-3221 |
| Compound Name: | 4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)benzamide |
| Molecular Weight: | 498.99 |
| Molecular Formula: | C24 H23 Cl N4 O4 S |
| Smiles: | C1CS(CC1NC(c1ccc(CN2C(CCn3c2cc(c2ccc(cc2)[Cl])n3)=O)cc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7045 |
| logD: | 2.7045 |
| logSw: | -3.7668 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.596 |
| InChI Key: | JHAPQVINPNBZLR-FQEVSTJZSA-N |