2-[(2-oxo-2-phenylethyl)sulfanyl]-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-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4333-3476 |
| Compound Name: | 2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C25 H22 N2 O2 S2 |
| Smiles: | C1CCc2c3C(N(C(=Nc3sc2CC1)SCC(c1ccccc1)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4189 |
| logD: | 5.4189 |
| logSw: | -5.6295 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.56 |
| InChI Key: | CSKSCZKIZFLUET-UHFFFAOYSA-N |