1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8008-3607 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 456.57 |
| Molecular Formula: | C26 H24 N4 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0824 |
| logD: | 5.0824 |
| logSw: | -4.8188 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.313 |
| InChI Key: | RGTKXXGXLILCSN-UHFFFAOYSA-N |