N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-N-[(pyridin-2-yl)methyl]-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-[(pyridin-2-yl)methyl]-beta-alaninamide
N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-N-[(pyridin-2-yl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C046-0081 |
| Compound Name: | N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-N-[(pyridin-2-yl)methyl]-beta-alaninamide |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C21 H23 N5 O3 S |
| Smiles: | C1CCc2c(C1)c1C(N(CC(NCCC(NCc3ccccn3)=O)=O)C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6943 |
| logD: | 0.6941 |
| logSw: | -2.1563 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.489 |
| InChI Key: | JCMYEYWVTMGCAS-UHFFFAOYSA-N |