2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | D353-0868 |
| Compound Name: | 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 395.44 |
| Molecular Formula: | C20 H17 N3 O4 S |
| Smiles: | C1CN(Cc2ccccc12)C(CSc1nnc(c2ccc3c(c2)OCO3)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1425 |
| logD: | 3.1425 |
| logSw: | -3.3708 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.234 |
| InChI Key: | ISDIDDLNIYOMPY-UHFFFAOYSA-N |