N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl)methyl]benzamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | E856-0227 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl)methyl]benzamide |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C23 H24 N4 O2 S |
| Smiles: | CSc1ccc(CCNC(c2ccc(CN3C(CCn4c3ccn4)=O)cc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9323 |
| logD: | 2.9323 |
| logSw: | -3.448 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.681 |
| InChI Key: | KASWQNLHSWKNDB-UHFFFAOYSA-N |