1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-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-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | F019-4255 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C23 H22 N4 O3 S |
| Smiles: | Cn1c(c2cc3cccc(c3o2)OC)nnc1SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.899 |
| logD: | 3.899 |
| logSw: | -3.9758 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.264 |
| InChI Key: | ZRJHJOVKQIIYRE-UHFFFAOYSA-N |