N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Compound characteristics
| Compound ID: | C046-0064 |
| Compound Name: | N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Smiles: | C1CCc2c(C1)c1C(N(CC(NCCC(N3CCC(CC3)Cc3ccccc3)=O)=O)C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0535 |
| logD: | 3.0535 |
| logSw: | -3.4164 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.596 |
| InChI Key: | RKXJCFRSWNCZLF-UHFFFAOYSA-N |