3-phenyl-2-[(2-phenylethyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-phenyl-2-[(2-phenylethyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
3-phenyl-2-[(2-phenylethyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3683-0048 |
| Compound Name: | 3-phenyl-2-[(2-phenylethyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 432.61 |
| Molecular Formula: | C25 H24 N2 O S2 |
| Smiles: | C1CCc2c3C(N(C(=Nc3sc2CC1)SCCc1ccccc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4137 |
| logD: | 6.4137 |
| logSw: | -5.9303 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.3134 |
| InChI Key: | DIFHGUHNNVPNGV-UHFFFAOYSA-N |