1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | M142-0111 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 451.57 |
| Molecular Formula: | C21 H21 N7 O S2 |
| Smiles: | C1CCN(C1)c1nc2c(c3nnc(n3cn2)SCC(N2CCc3ccccc3C2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4268 |
| logD: | 3.4268 |
| logSw: | -3.4918 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.799 |
| InChI Key: | QINOVHSLGJVJHJ-UHFFFAOYSA-N |