N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-N-(3,4,5-trimethoxyphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-N-(3,4,5-trimethoxyphenyl)-beta-alaninamide
N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-N-(3,4,5-trimethoxyphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C046-0033 |
| Compound Name: | N~3~-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-N-(3,4,5-trimethoxyphenyl)-beta-alaninamide |
| Molecular Weight: | 500.57 |
| Molecular Formula: | C24 H28 N4 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CCNC(CN1C=Nc2c(C1=O)c1CCCCc1s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2845 |
| logD: | 1.2837 |
| logSw: | -2.2802 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.602 |
| InChI Key: | UJQHYPCBHOEVFX-UHFFFAOYSA-N |