2-(3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-(3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-ethoxyphenyl)acetamide
2-(3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C200-0568 |
| Compound Name: | 2-(3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C27 H27 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)NC(CN1C(N(Cc2ccccc2)C(c2c3CCCCc3sc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5317 |
| logD: | 5.5317 |
| logSw: | -5.2886 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.912 |
| InChI Key: | WQQHCQKBZRKHGL-UHFFFAOYSA-N |