2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | M459-5841 |
| Compound Name: | 2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 390.51 |
| Molecular Formula: | C22 H22 N4 O S |
| Smiles: | Cc1ccc(cc1)NC(CSc1nccc(n1)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9951 |
| logD: | 4.9951 |
| logSw: | -4.4822 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.419 |
| InChI Key: | OCJSDCGTRVJEPP-UHFFFAOYSA-N |