2-[3-(4-benzylpiperazin-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-benzylpiperazin-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-benzylpiperazin-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: | F145-0576 |
| Compound Name: | 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 450.6 |
| Molecular Formula: | C25 H30 N4 O2 S |
| Smiles: | C1CCc2c3C(NC(CCC(N4CCN(CC4)Cc4ccccc4)=O)=Nc3sc2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3109 |
| logD: | 3.2774 |
| logSw: | -3.7357 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.987 |
| InChI Key: | PGSWRWKSYPNFHQ-UHFFFAOYSA-N |