4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[3-(propylsulfanyl)propyl]benzamide
Chemical Structure Depiction of
4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[3-(propylsulfanyl)propyl]benzamide
4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[3-(propylsulfanyl)propyl]benzamide
Compound characteristics
| Compound ID: | E856-3232 |
| Compound Name: | 4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[3-(propylsulfanyl)propyl]benzamide |
| Molecular Weight: | 497.06 |
| Molecular Formula: | C26 H29 Cl N4 O2 S |
| Smiles: | CCCSCCCNC(c1ccc(CN2C(CCn3c2cc(c2ccc(cc2)[Cl])n3)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9224 |
| logD: | 4.9224 |
| logSw: | -4.9757 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.547 |
| InChI Key: | SSKHKXXGUDPBPN-UHFFFAOYSA-N |