2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
Chemical Structure Depiction of
2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
Compound characteristics
| Compound ID: | M459-6640 |
| Compound Name: | 2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide |
| Molecular Weight: | 432.59 |
| Molecular Formula: | C25 H28 N4 O S |
| Smiles: | CC(CCc1ccccc1)NC(CSc1nccc(n1)N1CCc2ccccc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1973 |
| logD: | 5.197 |
| logSw: | -5.031 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.183 |
| InChI Key: | YSDALKZXXLGCGV-IBGZPJMESA-N |