1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(5-methyl[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(5-methyl[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(5-methyl[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | J061-1746 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(5-methyl[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 339.41 |
| Molecular Formula: | C18 H17 N3 O2 S |
| Smiles: | Cc1ccc2c(n1)nc(o2)SCC(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4363 |
| logD: | 3.4363 |
| logSw: | -3.399 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.433 |
| InChI Key: | FJDGOXXFVLSYTD-UHFFFAOYSA-N |