2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | M459-6273 |
| Compound Name: | 2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 445.59 |
| Molecular Formula: | C25 H27 N5 O S |
| Smiles: | C1CN(Cc2ccccc12)c1ccnc(n1)SCC(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4698 |
| logD: | 4.4681 |
| logSw: | -4.3749 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.923 |
| InChI Key: | FTRXGTNSVSTROV-UHFFFAOYSA-N |