2-(benzylsulfanyl)-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
2-(benzylsulfanyl)-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3683-0001 |
| Compound Name: | 2-(benzylsulfanyl)-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 418.58 |
| Molecular Formula: | C24 H22 N2 O S2 |
| Smiles: | C1CCc2c3C(N(C(=Nc3sc2CC1)SCc1ccccc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7212 |
| logD: | 5.7212 |
| logSw: | -5.6841 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.3134 |
| InChI Key: | ICBBQNAFEJHWBJ-UHFFFAOYSA-N |