2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | M459-6282 |
| Compound Name: | 2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 475.61 |
| Molecular Formula: | C26 H29 N5 O2 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CSc1nccc(n1)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5738 |
| logD: | 4.572 |
| logSw: | -4.3337 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.467 |
| InChI Key: | ILSSVSVTSKDFLN-UHFFFAOYSA-N |