4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
Chemical Structure Depiction of
4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | E856-3012 |
| Compound Name: | 4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[2-(pyrrolidin-1-yl)ethyl]benzamide |
| Molecular Weight: | 477.99 |
| Molecular Formula: | C26 H28 Cl N5 O2 |
| Smiles: | C1CCN(C1)CCNC(c1ccc(CN2C(CCn3c2cc(c2cccc(c2)[Cl])n3)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7737 |
| logD: | 2.3655 |
| logSw: | -4.3593 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.624 |
| InChI Key: | BBULEMVJNMHHOB-UHFFFAOYSA-N |