N-butyl-N-ethyl-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-butyl-N-ethyl-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide
N-butyl-N-ethyl-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: | C046-0088 |
| Compound Name: | N-butyl-N-ethyl-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C21 H30 N4 O3 S |
| Smiles: | CCCCN(CC)C(CCNC(CN1C=Nc2c(C1=O)c1CCCCc1s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9611 |
| logD: | 1.9611 |
| logSw: | -2.3756 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.405 |
| InChI Key: | XGSKEDWUYSAYDH-UHFFFAOYSA-N |