2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]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-fluorophenyl)methyl]acetamide
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F813-4547 |
| Compound Name: | 2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C23 H20 F N5 O S2 |
| Smiles: | C1CN(Cc2ccccc12)c1nc2c(c(ncn2)SCC(NCc2ccc(cc2)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6267 |
| logD: | 4.6267 |
| logSw: | -4.4493 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.356 |
| InChI Key: | SIKPNKDPTGDSNH-UHFFFAOYSA-N |