2-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
2-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | F145-0582 |
| Compound Name: | 2-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C24 H27 F N4 O2 S |
| Smiles: | C1CCc2c3C(NC(CCC(N4CCN(CC4)c4ccccc4F)=O)=Nc3sc2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8084 |
| logD: | 3.8078 |
| logSw: | -4.3907 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.406 |
| InChI Key: | GGWUBTRKQVMYSG-UHFFFAOYSA-N |