1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(4-hydroxy-6-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(4-hydroxy-6-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(4-hydroxy-6-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | Y021-1576 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(4-hydroxy-6-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C21 H19 N3 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(CSc1nc(cc(n1)O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1009 |
| logD: | 3.864 |
| logSw: | -4.216 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.302 |
| InChI Key: | QCBGEDNCJVRANZ-UHFFFAOYSA-N |