1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8009-7604 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 288.37 |
| Molecular Formula: | C14 H16 N4 O S |
| Smiles: | Cn1cnnc1SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6298 |
| logD: | 1.6298 |
| logSw: | -2.1234 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.789 |
| InChI Key: | VEJDPDTYTCDFGA-UHFFFAOYSA-N |