3-benzyl-2-[(2-oxo-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-benzyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
3-benzyl-2-[(2-oxo-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: | 3683-0120 |
| Compound Name: | 3-benzyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 460.62 |
| Molecular Formula: | C26 H24 N2 O2 S2 |
| Smiles: | C1CCc2c3C(N(Cc4ccccc4)C(=Nc3sc2CC1)SCC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0139 |
| logD: | 6.0139 |
| logSw: | -5.7723 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.172 |
| InChI Key: | VPZVOBCGPVSHSZ-UHFFFAOYSA-N |