2-[7-acetyl-3-(3-methylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[7-acetyl-3-(3-methylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-ethoxyphenyl)acetamide
2-[7-acetyl-3-(3-methylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C200-3608 |
| Compound Name: | 2-[7-acetyl-3-(3-methylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 532.62 |
| Molecular Formula: | C28 H28 N4 O5 S |
| Smiles: | CCOc1ccc(cc1)NC(CN1C(N(C(c2c3CCN(Cc3sc12)C(C)=O)=O)c1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8148 |
| logD: | 3.8148 |
| logSw: | -4.1536 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.43 |
| InChI Key: | XQOFQXCPAMFPTP-UHFFFAOYSA-N |