2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | F813-4477 |
| Compound Name: | 2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C22 H18 F N5 O S2 |
| Smiles: | C1CN(Cc2ccccc12)c1nc2c(c(ncn2)SCC(Nc2cccc(c2)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0697 |
| logD: | 5.0695 |
| logSw: | -4.9832 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.034 |
| InChI Key: | LCMSRCNCHVDZAN-UHFFFAOYSA-N |