N-butyl-4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-methylbenzamide
Chemical Structure Depiction of
N-butyl-4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-methylbenzamide
N-butyl-4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-methylbenzamide
Compound characteristics
| Compound ID: | E856-2975 |
| Compound Name: | N-butyl-4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-methylbenzamide |
| Molecular Weight: | 450.97 |
| Molecular Formula: | C25 H27 Cl N4 O2 |
| Smiles: | CCCCN(C)C(c1ccc(CN2C(CCn3c2cc(c2cccc(c2)[Cl])n3)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5164 |
| logD: | 4.5164 |
| logSw: | -4.5789 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.421 |
| InChI Key: | VVYJGXWKXROPSK-UHFFFAOYSA-N |