2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Chemical Structure Depiction of
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | M447-0110 |
| Compound Name: | 2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one |
| Molecular Weight: | 435.51 |
| Molecular Formula: | C21 H21 N7 O2 S |
| Smiles: | C1CCN(C1)c1nc2c(C3=NN(CC(N4CCc5ccccc5C4)=O)C(N3C=N2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.7683 |
| logD: | 2.7575 |
| logSw: | -2.8816 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.956 |
| InChI Key: | PGFKSNFZCSNJOC-UHFFFAOYSA-N |