2-[(3-benzyl-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)methyl]benzonitrile
Chemical Structure Depiction of
2-[(3-benzyl-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)methyl]benzonitrile
2-[(3-benzyl-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | C258-0444 |
| Compound Name: | 2-[(3-benzyl-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)methyl]benzonitrile |
| Molecular Weight: | 413.5 |
| Molecular Formula: | C24 H19 N3 O2 S |
| Smiles: | C1Cc2c3C(N(Cc4ccccc4)C(N(Cc4ccccc4C#N)c3sc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0118 |
| logD: | 5.0118 |
| logSw: | -4.953 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.061 |
| InChI Key: | AJTNQKDEFPLWFH-UHFFFAOYSA-N |