1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | D344-9188 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 396.42 |
| Molecular Formula: | C19 H16 N4 O4 S |
| Smiles: | C1Cc2ccccc2N(C1)C(CSc1nnc(c2ccc(cc2)[N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4396 |
| logD: | 3.4396 |
| logSw: | -3.7597 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.503 |
| InChI Key: | ORFSZXXZHKSQNS-UHFFFAOYSA-N |