2-[(7-acetyl-3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)methyl]benzonitrile
Chemical Structure Depiction of
2-[(7-acetyl-3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)methyl]benzonitrile
2-[(7-acetyl-3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | C728-0193 |
| Compound Name: | 2-[(7-acetyl-3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)methyl]benzonitrile |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C26 H22 N4 O3 S |
| Smiles: | CC(N1CCc2c3C(N(Cc4ccccc4)C(N(Cc4ccccc4C#N)c3sc2C1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9069 |
| logD: | 3.9069 |
| logSw: | -4.2229 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.824 |
| InChI Key: | VKDKLEFOXFEVRB-UHFFFAOYSA-N |