4-{[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]methoxy}benzonitrile
Chemical Structure Depiction of
4-{[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]methoxy}benzonitrile
4-{[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]methoxy}benzonitrile
Compound characteristics
| Compound ID: | Y200-0475 |
| Compound Name: | 4-{[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]methoxy}benzonitrile |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | CN1CCc2c3C(NC(c4ccc(COc5ccc(C#N)cc5)o4)Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5109 |
| logD: | 1.5738 |
| logSw: | -2.7752 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.735 |
| InChI Key: | FQPVAPBKPHSREH-HXUWFJFHSA-N |