N-{3-[benzyl(ethyl)amino]propyl}-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-{3-[benzyl(ethyl)amino]propyl}-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide
N-{3-[benzyl(ethyl)amino]propyl}-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: | C046-0118 |
| Compound Name: | N-{3-[benzyl(ethyl)amino]propyl}-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 509.67 |
| Molecular Formula: | C27 H35 N5 O3 S |
| Smiles: | CCN(CCCNC(CCNC(CN1C=Nc2c(C1=O)c1CCCCc1s2)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7933 |
| logD: | 0.1463 |
| logSw: | -2.3661 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.474 |
| InChI Key: | HBNIJXJVMPEPFC-UHFFFAOYSA-N |