1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-[(5-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-[(5-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]ethan-1-one
1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-[(5-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 6481-7348 |
| Compound Name: | 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-[(5-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C23 H22 N4 O3 S2 |
| Smiles: | COc1cc2CCN(Cc2cc1OC)C(CSc1nnc2n1c(cs2)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8161 |
| logD: | 3.8161 |
| logSw: | -3.9143 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.101 |
| InChI Key: | YPKSUHGEABSVST-UHFFFAOYSA-N |