4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-(2-ethyl-6-methylphenyl)benzamide
Chemical Structure Depiction of
4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-(2-ethyl-6-methylphenyl)benzamide
4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-(2-ethyl-6-methylphenyl)benzamide
Compound characteristics
| Compound ID: | E856-3186 |
| Compound Name: | 4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-(2-ethyl-6-methylphenyl)benzamide |
| Molecular Weight: | 499.01 |
| Molecular Formula: | C29 H27 Cl N4 O2 |
| Smiles: | CCc1cccc(C)c1NC(c1ccc(CN2C(CCn3c2cc(c2ccc(cc2)[Cl])n3)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8797 |
| logD: | 5.8796 |
| logSw: | -6.0049 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.716 |
| InChI Key: | RXAUZXBWAGRXCL-UHFFFAOYSA-N |