N-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alanine
Chemical Structure Depiction of
N-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alanine
N-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alanine
Compound characteristics
| Compound ID: | 3909-9656 |
| Compound Name: | N-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alanine |
| Molecular Weight: | 335.38 |
| Molecular Formula: | C15 H17 N3 O4 S |
| Smiles: | C1CCc2c(C1)c1C(N(CC(NCCC(O)=O)=O)C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0276 |
| logD: | -2.7233 |
| logSw: | -1.6829 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.13 |
| InChI Key: | ANKGQOHUUVSLBA-UHFFFAOYSA-N |