N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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: | C046-0038 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C23 H24 N4 O5 S |
| Smiles: | C1CCc2c(C1)c1C(N(CC(NCCC(Nc3ccc4c(c3)OCCO4)=O)=O)C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8765 |
| logD: | 0.8764 |
| logSw: | -2.373 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.447 |
| InChI Key: | AJCTWJBHTXPNLB-UHFFFAOYSA-N |