3-{[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile
3-{[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | 8018-0411 |
| Compound Name: | 3-{[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C23 H17 N3 O S2 |
| Smiles: | C1Cc2c3C(N(C(=Nc3sc2C1)SCc1cccc(C#N)c1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6671 |
| logD: | 4.6671 |
| logSw: | -4.9021 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.405 |
| InChI Key: | LLCBQLAQJIZBCS-UHFFFAOYSA-N |