2-{2-[4-(2-fluorophenyl)piperazin-1-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-[4-(2-fluorophenyl)piperazin-1-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-[4-(2-fluorophenyl)piperazin-1-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: | F815-0912 |
| Compound Name: | 2-{2-[4-(2-fluorophenyl)piperazin-1-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: | 480.56 |
| Molecular Formula: | C24 H25 F N6 O2 S |
| Smiles: | CC1CCc2c3C4=NN(CC(N5CCN(CC5)c5ccccc5F)=O)C(N4C=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4161 |
| logD: | 3.4158 |
| logSw: | -4.0385 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.862 |
| InChI Key: | PSHQAUOISDXVHY-OAHLLOKOSA-N |