1-[2,2-dimethyl-4-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)quinolin-1(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[2,2-dimethyl-4-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)quinolin-1(2H)-yl]ethan-1-one
1-[2,2-dimethyl-4-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)quinolin-1(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | Y021-2853 |
| Compound Name: | 1-[2,2-dimethyl-4-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)quinolin-1(2H)-yl]ethan-1-one |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | CC(N1c2ccccc2C(CSc2nnc(c3ccncc3)o2)=CC1(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0262 |
| logD: | 3.0256 |
| logSw: | -3.3906 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.317 |
| InChI Key: | ZBBUGLLODYENMB-UHFFFAOYSA-N |