methyl 2-(4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}benzamido)benzoate
Chemical Structure Depiction of
methyl 2-(4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}benzamido)benzoate
methyl 2-(4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}benzamido)benzoate
Compound characteristics
| Compound ID: | E856-3150 |
| Compound Name: | methyl 2-(4-{[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}benzamido)benzoate |
| Molecular Weight: | 514.97 |
| Molecular Formula: | C28 H23 Cl N4 O4 |
| Smiles: | COC(c1ccccc1NC(c1ccc(CN2C(CCn3c2cc(c2ccc(cc2)[Cl])n3)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2712 |
| logD: | 4.8608 |
| logSw: | -5.6903 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.588 |
| InChI Key: | XZZWSKRZAXSBAM-UHFFFAOYSA-N |