N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-N-[4-(propan-2-yl)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-[4-(propan-2-yl)phenyl]-beta-alaninamide
N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-N-[4-(propan-2-yl)phenyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C046-0116 |
| Compound Name: | N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-N-[4-(propan-2-yl)phenyl]-beta-alaninamide |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C24 H28 N4 O3 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CCNC(CN1C=Nc2c(C1=O)c1CCCCc1s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2421 |
| logD: | 3.2421 |
| logSw: | -3.6943 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.624 |
| InChI Key: | ZVMKFTLIYDRRAY-UHFFFAOYSA-N |