2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one
2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | D718-1136 |
| Compound Name: | 2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | CC1=CC(C)(C)N(C(CSc2nnc(c3ccncc3)o2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.2376 |
| logD: | 3.2369 |
| logSw: | -3.5575 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.322 |
| InChI Key: | YKMKZJAOLQUMLV-UHFFFAOYSA-N |