N-{2-[butyl(ethyl)amino]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-{2-[butyl(ethyl)amino]ethyl}-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide
N-{2-[butyl(ethyl)amino]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: | C046-0127 |
| Compound Name: | N-{2-[butyl(ethyl)amino]ethyl}-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 461.63 |
| Molecular Formula: | C23 H35 N5 O3 S |
| Smiles: | CCCCN(CC)CCNC(CCNC(CN1C=Nc2c(C1=O)c1CCCCc1s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4817 |
| logD: | -0.3372 |
| logSw: | -1.9073 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.724 |
| InChI Key: | LXBYQCJOGRVKOA-UHFFFAOYSA-N |