5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-6-ethyl-2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-6-ethyl-2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-6-ethyl-2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
Compound ID: | L387-5025 |
Compound Name: | 5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-6-ethyl-2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
Molecular Weight: | 455.6 |
Molecular Formula: | C22 H25 N5 O2 S2 |
Smiles: | CCN1C(=Nc2c(C1=O)sc(n2)N1CCCC1)SCC(N1CCc2ccccc2C1)=O |
Stereo: | ACHIRAL |
logP: | 4.0469 |
logD: | 4.0469 |
logSw: | -3.8552 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 56.036 |
InChI Key: | BTMBFRMVIMXQPO-UHFFFAOYSA-N |