N-(3,4-difluorophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-difluorophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide
N-(3,4-difluorophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F813-4500 |
| Compound Name: | N-(3,4-difluorophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide |
| Molecular Weight: | 469.53 |
| Molecular Formula: | C22 H17 F2 N5 O S2 |
| Smiles: | C1CN(Cc2ccccc12)c1nc2c(c(ncn2)SCC(Nc2ccc(c(c2)F)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.2729 |
| logD: | 5.2637 |
| logSw: | -5.4769 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.034 |
| InChI Key: | IICTWTZGOQYMJJ-UHFFFAOYSA-N |