2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[2-(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-[2-(trifluoromethyl)phenyl]acetamide
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
Compound ID: | C201-1885 |
Compound Name: | 2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide |
Molecular Weight: | 501.55 |
Molecular Formula: | C23 H18 F3 N5 O S2 |
Smiles: | C1CN(Cc2ccccc12)c1nc2c(c(ncn2)SCC(Nc2ccccc2C(F)(F)F)=O)s1 |
Stereo: | ACHIRAL |
logP: | 5.4319 |
logD: | 5.4319 |
logSw: | -5.6606 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.336 |
InChI Key: | DZBGOPLLDFNXNC-UHFFFAOYSA-N |