4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-(3,4-dimethoxyphenyl)benzamide
Chemical Structure Depiction of
4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-(3,4-dimethoxyphenyl)benzamide
4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-(3,4-dimethoxyphenyl)benzamide
Compound characteristics
| Compound ID: | E856-2905 |
| Compound Name: | 4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-(3,4-dimethoxyphenyl)benzamide |
| Molecular Weight: | 516.98 |
| Molecular Formula: | C28 H25 Cl N4 O4 |
| Smiles: | COc1ccc(cc1OC)NC(c1ccc(CN2C(CCn3c2cc(c2cccc(c2)[Cl])n3)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8277 |
| logD: | 4.826 |
| logSw: | -4.8239 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.373 |
| InChI Key: | RFIGJSMYZGMBBB-UHFFFAOYSA-N |