N-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide
N-(2,4-difluorophenyl)-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: | C046-0022 |
| Compound Name: | N-(2,4-difluorophenyl)-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 446.47 |
| Molecular Formula: | C21 H20 F2 N4 O3 S |
| Smiles: | C1CCc2c(C1)c1C(N(CC(NCCC(Nc3ccc(cc3F)F)=O)=O)C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8198 |
| logD: | 1.8016 |
| logSw: | -2.6521 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.926 |
| InChI Key: | IKYCCTRWYGQDJM-UHFFFAOYSA-N |