4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[(4-ethoxyphenyl)methyl]benzamide
Chemical Structure Depiction of
4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[(4-ethoxyphenyl)methyl]benzamide
4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[(4-ethoxyphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | E856-3230 |
| Compound Name: | 4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[(4-ethoxyphenyl)methyl]benzamide |
| Molecular Weight: | 515.01 |
| Molecular Formula: | C29 H27 Cl N4 O3 |
| Smiles: | CCOc1ccc(CNC(c2ccc(CN3C(CCn4c3cc(c3ccc(cc3)[Cl])n4)=O)cc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3832 |
| logD: | 5.3832 |
| logSw: | -5.9416 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.558 |
| InChI Key: | HIFUSUIFJAIPPY-UHFFFAOYSA-N |