2-[7-acetyl-2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(2-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[7-acetyl-2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(2-ethoxyphenyl)acetamide
2-[7-acetyl-2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(2-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C728-0291 |
| Compound Name: | 2-[7-acetyl-2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(2-ethoxyphenyl)acetamide |
| Molecular Weight: | 546.65 |
| Molecular Formula: | C29 H30 N4 O5 S |
| Smiles: | CCOc1ccccc1NC(CN1C(N(CCc2ccccc2)C(c2c3CCN(Cc3sc12)C(C)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9763 |
| logD: | 3.9762 |
| logSw: | -4.2188 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.408 |
| InChI Key: | WPFZGOQIENIWDS-UHFFFAOYSA-N |