N-[(furan-2-yl)methyl]-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide
N-[(furan-2-yl)methyl]-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C046-0068 |
| Compound Name: | N-[(furan-2-yl)methyl]-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C20 H22 N4 O4 S |
| Smiles: | C1CCc2c(C1)c1C(N(CC(NCCC(NCc3ccco3)=O)=O)C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3548 |
| logD: | 1.3548 |
| logSw: | -2.1993 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.695 |
| InChI Key: | NYEBVFYMJSTRPC-UHFFFAOYSA-N |