2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | M459-6609 |
| Compound Name: | 2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 436.6 |
| Molecular Formula: | C23 H24 N4 O S2 |
| Smiles: | CSc1ccc(CNC(CSc2nccc(n2)N2CCc3ccccc3C2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9723 |
| logD: | 4.972 |
| logSw: | -4.515 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.742 |
| InChI Key: | ADRBEXPFTAWOPO-UHFFFAOYSA-N |