2-(7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(3,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-(7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(3,5-dimethylphenyl)acetamide
2-(7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(3,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | K305-0487 |
| Compound Name: | 2-(7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(3,5-dimethylphenyl)acetamide |
| Molecular Weight: | 502.59 |
| Molecular Formula: | C27 H26 N4 O4 S |
| Smiles: | CC(N1CCc2c3C(N(C(N(CC(Nc4cc(C)cc(C)c4)=O)c3sc2C1)=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5188 |
| logD: | 3.5188 |
| logSw: | -3.9991 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.306 |
| InChI Key: | JJILIIDBZSQTKH-UHFFFAOYSA-N |