2-[7-acetyl-3-(2-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[7-acetyl-3-(2-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-methylphenyl)acetamide
2-[7-acetyl-3-(2-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | K305-0453 |
| Compound Name: | 2-[7-acetyl-3-(2-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 523.01 |
| Molecular Formula: | C26 H23 Cl N4 O4 S |
| Smiles: | CC(N1CCc2c3C(N(C(N(CC(Nc4ccc(C)cc4)=O)c3sc2C1)=O)c1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9772 |
| logD: | 3.9772 |
| logSw: | -4.4215 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.005 |
| InChI Key: | CTYCNFDVSQLIBN-UHFFFAOYSA-N |