2-(3,4-dihydroisoquinolin-2(1H)-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(3,4-dihydroisoquinolin-2(1H)-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(3H)-one
2-(3,4-dihydroisoquinolin-2(1H)-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-1185 |
| Compound Name: | 2-(3,4-dihydroisoquinolin-2(1H)-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 363.48 |
| Molecular Formula: | C21 H21 N3 O S |
| Smiles: | Cc1ccc(cc1)SCC1=CC(NC(=N1)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2987 |
| logD: | 4.2549 |
| logSw: | -4.067 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.753 |
| InChI Key: | RQICZAWLZUBQIO-UHFFFAOYSA-N |