N-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide
N-(3,4-dimethoxyphenyl)-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: | C046-0023 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C23 H26 N4 O5 S |
| Smiles: | COc1ccc(cc1OC)NC(CCNC(CN1C=Nc2c(C1=O)c1CCCCc1s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4388 |
| logD: | 1.4387 |
| logSw: | -2.4814 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.885 |
| InChI Key: | BIFVPDAUOLSKBJ-UHFFFAOYSA-N |