2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-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]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | F815-0462 |
| Compound Name: | 2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C22 H21 N5 O2 S |
| Smiles: | C1CCc2c(C1)c1C3=NN(CC(N4CCc5ccccc5C4)=O)C(N3C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.126 |
| logD: | 3.1259 |
| logSw: | -3.2431 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.565 |
| InChI Key: | UEEGQMXRWFPTLL-UHFFFAOYSA-N |