N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M459-5937 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 478.92 |
| Molecular Formula: | C22 H18 Cl F3 N4 O S |
| Smiles: | C1CN(Cc2ccccc12)c1ccnc(n1)SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7967 |
| logD: | 5.7658 |
| logSw: | -6.173 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.722 |
| InChI Key: | WTAJVIBWVAIIAV-UHFFFAOYSA-N |