N-(4-bromo-2-fluorophenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
N-(4-bromo-2-fluorophenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M459-5911 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 473.37 |
| Molecular Formula: | C21 H18 Br F N4 O S |
| Smiles: | C1CN(Cc2ccccc12)c1ccnc(n1)SCC(Nc1ccc(cc1F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2522 |
| logD: | 5.2444 |
| logSw: | -5.349 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.722 |
| InChI Key: | VBBPGOCMQMCNGZ-UHFFFAOYSA-N |