2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Chemical Structure Depiction of
2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | F815-0191 |
| Compound Name: | 2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C21 H21 F N6 O2 S |
| Smiles: | Cc1c2C3=NN(CC(N4CCN(CC4)c4ccc(cc4)F)=O)C(N3C=Nc2sc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4966 |
| logD: | 2.4946 |
| logSw: | -2.5499 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.243 |
| InChI Key: | ZSMUMMJVEYSRGS-UHFFFAOYSA-N |