2-[7-acetyl-3-(3,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[7-acetyl-3-(3,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-[(oxolan-2-yl)methyl]acetamide
2-[7-acetyl-3-(3,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K305-0525 |
| Compound Name: | 2-[7-acetyl-3-(3,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 542.61 |
| Molecular Formula: | C26 H30 N4 O7 S |
| Smiles: | CC(N1CCc2c3C(N(C(N(CC(NCC4CCCO4)=O)c3sc2C1)=O)c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6383 |
| logD: | 0.6383 |
| logSw: | -2.2466 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.543 |
| InChI Key: | CIAIWMDYDRGAPI-QGZVFWFLSA-N |