4-[(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)methyl]benzonitrile
Chemical Structure Depiction of
4-[(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)methyl]benzonitrile
4-[(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)methyl]benzonitrile
Compound characteristics
| Compound ID: | C728-0332 |
| Compound Name: | 4-[(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)methyl]benzonitrile |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C25 H20 N4 O3 S |
| Smiles: | CC(N1CCc2c3C(N(C(N(Cc4ccc(C#N)cc4)c3sc2C1)=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0744 |
| logD: | 3.0744 |
| logSw: | -3.3014 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.213 |
| InChI Key: | SNSPFSHAQKLKLA-UHFFFAOYSA-N |