2-{[5-(4-chlorophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-{[5-(4-chlorophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | 6481-7367 |
| Compound Name: | 2-{[5-(4-chlorophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 501.02 |
| Molecular Formula: | C23 H21 Cl N4 O3 S2 |
| Smiles: | COc1cc2CCN(Cc2cc1OC)C(CSc1nnc2n1c(cs2)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5159 |
| logD: | 4.5159 |
| logSw: | -4.7474 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.101 |
| InChI Key: | DUWXSCCGEAZDBP-UHFFFAOYSA-N |