N-(4-acetylphenyl)-4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}benzamide
N-(4-acetylphenyl)-4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | E856-3117 |
| Compound Name: | N-(4-acetylphenyl)-4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}benzamide |
| Molecular Weight: | 498.97 |
| Molecular Formula: | C28 H23 Cl N4 O3 |
| Smiles: | CC(c1ccc(cc1)NC(c1ccc(CN2C(CCn3c2cc(c2ccc(cc2)[Cl])n3)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8905 |
| logD: | 4.8801 |
| logSw: | -4.8444 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.939 |
| InChI Key: | QQJHEXRUGLTLCL-UHFFFAOYSA-N |