2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-1,2,3,5,6,7,8,9-octahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-1,2,3,5,6,7,8,9-octahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-1,2,3,5,6,7,8,9-octahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3379-1669 |
| Compound Name: | 2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-1,2,3,5,6,7,8,9-octahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 448.61 |
| Molecular Formula: | C25 H24 N2 O2 S2 |
| Smiles: | C1CCc2c3C(N(C(Nc3sc2CC1)SCC(c1ccccc1)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3371 |
| logD: | 5.3371 |
| logSw: | -5.577 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.325 |
| InChI Key: | HIMIPMUAMOYKRD-VWLOTQADSA-N |