2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | 4112-3788 |
| Compound Name: | 2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 501.55 |
| Molecular Formula: | C24 H18 F3 N3 O2 S2 |
| Smiles: | C1Cc2c3C(N(C(=Nc3sc2C1)SCC(Nc1ccccc1C(F)(F)F)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0061 |
| logD: | 5.0061 |
| logSw: | -4.8964 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.8 |
| InChI Key: | FBSJABIWUQINHL-UHFFFAOYSA-N |