N-(4-bromophenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M459-5905 |
| Compound Name: | N-(4-bromophenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 455.37 |
| Molecular Formula: | C21 H19 Br N4 O S |
| Smiles: | C1CN(Cc2ccccc12)c1ccnc(n1)SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4056 |
| logD: | 5.4055 |
| logSw: | -5.6005 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.419 |
| InChI Key: | QWKHFXCJODLNPG-UHFFFAOYSA-N |