2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | F813-2919 |
| Compound Name: | 2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 439.6 |
| Molecular Formula: | C22 H25 N5 O S2 |
| Smiles: | C1CCCN(CC1)c1nc2c(c(ncn2)SCC(N2CCc3ccccc3C2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8393 |
| logD: | 4.8393 |
| logSw: | -4.6818 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.608 |
| InChI Key: | AWNLZRWLVZKDID-UHFFFAOYSA-N |