3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2(3H)-one
Chemical Structure Depiction of
3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2(3H)-one
3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2(3H)-one
Compound characteristics
| Compound ID: | L908-0343 |
| Compound Name: | 3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2(3H)-one |
| Molecular Weight: | 480.56 |
| Molecular Formula: | C24 H25 F N6 O2 S |
| Smiles: | CC1CCc2c3C4=NC(N(CC(N5CCN(CC5)c5ccc(cc5)F)=O)N4C=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3277 |
| logD: | -2.2714 |
| logSw: | -3.7346 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.444 |
| InChI Key: | MSIXABITAVEPMD-OAHLLOKOSA-N |