2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-9-methyl-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]-9-methyl-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]-9-methyl-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: | F815-0930 |
| Compound Name: | 2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C23 H23 N5 O2 S |
| Smiles: | CC1CCc2c3C4=NN(CC(N5CCc6ccccc6C5)=O)C(N4C=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5599 |
| logD: | 3.5599 |
| logSw: | -3.8536 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.565 |
| InChI Key: | CFDFFQPOCINGPH-AWEZNQCLSA-N |