1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G851-0165 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C20 H19 N3 O2 S2 |
| Smiles: | COc1ccc(cc1)c1nnc(SCC(N2CCCc3ccccc23)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4484 |
| logD: | 4.4484 |
| logSw: | -4.2265 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.161 |
| InChI Key: | USSZNIUKYHQTJL-UHFFFAOYSA-N |