1-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-4-[(oxolan-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-4-[(oxolan-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-4-[(oxolan-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F798-0622 |
| Compound Name: | 1-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-4-[(oxolan-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 481.59 |
| Molecular Formula: | C23 H23 N5 O3 S2 |
| Smiles: | C1CC(CN2C(c3c(ccs3)n3c2nnc3SCC(N2CCc3ccccc3C2)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7707 |
| logD: | 2.7707 |
| logSw: | -2.9564 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.039 |
| InChI Key: | RSEPZZZASWZMKS-QGZVFWFLSA-N |