N-(4-chloro-2-fluorophenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
N-(4-chloro-2-fluorophenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | M459-5910 |
Compound Name: | N-(4-chloro-2-fluorophenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide |
Molecular Weight: | 428.91 |
Molecular Formula: | C21 H18 Cl F N4 O S |
Smiles: | C1CN(Cc2ccccc12)c1ccnc(n1)SCC(Nc1ccc(cc1F)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 5.1936 |
logD: | 5.1858 |
logSw: | -5.6924 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 42.722 |
InChI Key: | MWUIUHQTHUJRFB-UHFFFAOYSA-N |