N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-N-[3-(trifluoromethyl)phenyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-N-[3-(trifluoromethyl)phenyl]-beta-alaninamide
N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-N-[3-(trifluoromethyl)phenyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C046-0012 |
| Compound Name: | N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-N-[3-(trifluoromethyl)phenyl]-beta-alaninamide |
| Molecular Weight: | 478.49 |
| Molecular Formula: | C22 H21 F3 N4 O3 S |
| Smiles: | C1CCc2c(C1)c1C(N(CC(NCCC(Nc3cccc(c3)C(F)(F)F)=O)=O)C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9471 |
| logD: | 2.9462 |
| logSw: | -3.4682 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.624 |
| InChI Key: | URTAKFIKBLOOLC-UHFFFAOYSA-N |