2-{3-[4-(furan-2-carbonyl)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-(furan-2-carbonyl)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-(furan-2-carbonyl)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: | F145-0575 |
| Compound Name: | 2-{3-[4-(furan-2-carbonyl)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: | 454.55 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Smiles: | C1CCc2c3C(NC(CCC(N4CCN(CC4)C(c4ccco4)=O)=O)=Nc3sc2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2028 |
| logD: | 2.2022 |
| logSw: | -2.7688 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.481 |
| InChI Key: | BWUHSCOTXYOECX-UHFFFAOYSA-N |