2-{[(3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl)methyl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-{[(3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl)methyl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-{[(3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl)methyl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | G813-0017 |
| Compound Name: | 2-{[(3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl)methyl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 420.58 |
| Molecular Formula: | C24 H28 N4 O S |
| Smiles: | C1CCC(CC1)n1c(CSCC(N2CCc3ccccc3C2)=O)nc2cccnc12 |
| Stereo: | ACHIRAL |
| logP: | 4.5344 |
| logD: | 4.5344 |
| logSw: | -4.2674 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.409 |
| InChI Key: | DNOJYZAQWVHZAU-UHFFFAOYSA-N |