N-[(1-ethylpyrrolidin-2-yl)methyl]-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-[(1-ethylpyrrolidin-2-yl)methyl]-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide
N-[(1-ethylpyrrolidin-2-yl)methyl]-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: | C046-0075 |
| Compound Name: | N-[(1-ethylpyrrolidin-2-yl)methyl]-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C22 H31 N5 O3 S |
| Smiles: | CCN1CCCC1CNC(CCNC(CN1C=Nc2c(C1=O)c1CCCCc1s2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5043 |
| logD: | -0.6796 |
| logSw: | -1.674 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.853 |
| InChI Key: | YDURXHGKEAEOLA-OAHLLOKOSA-N |