1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | C292-0446 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | COc1ccc(c(c1)c1nnc(o1)SCC(N1CCCc2ccccc12)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2954 |
| logD: | 3.2954 |
| logSw: | -3.7128 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.295 |
| InChI Key: | HULLSMLEESDWSO-UHFFFAOYSA-N |