2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C201-1652 |
| Compound Name: | 2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 501.55 |
| Molecular Formula: | C23 H18 F3 N5 O S2 |
| Smiles: | C1CN(Cc2ccccc12)c1nc2c(c(ncn2)SCC(Nc2ccc(cc2)C(F)(F)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.789 |
| logD: | 5.789 |
| logSw: | -6.0464 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.034 |
| InChI Key: | YMTDJJITMRXOJX-UHFFFAOYSA-N |