4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide
Chemical Structure Depiction of
4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide
4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | E856-3201 |
| Compound Name: | 4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide |
| Molecular Weight: | 489.02 |
| Molecular Formula: | C28 H29 Cl N4 O2 |
| Smiles: | C1CCC(CCNC(c2ccc(CN3C(CCn4c3cc(c3ccc(cc3)[Cl])n4)=O)cc2)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.3183 |
| logD: | 5.3183 |
| logSw: | -5.983 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.468 |
| InChI Key: | BPEQBTICIRKQSU-UHFFFAOYSA-N |