2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-(3-phenylpropyl)acetamide
Chemical Structure Depiction of
2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-(3-phenylpropyl)acetamide
2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-(3-phenylpropyl)acetamide
Compound characteristics
| Compound ID: | M459-6639 |
| Compound Name: | 2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-(3-phenylpropyl)acetamide |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C24 H26 N4 O S |
| Smiles: | C(Cc1ccccc1)CNC(CSc1nccc(n1)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0042 |
| logD: | 5.0039 |
| logSw: | -4.8057 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.583 |
| InChI Key: | UGBFXUUAVAGPHQ-UHFFFAOYSA-N |