3-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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: | 4159-0084 |
| Compound Name: | 3-cyclohexyl-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: | 452.64 |
| Molecular Formula: | C25 H28 N2 O2 S2 |
| Smiles: | C1CCC(CC1)N1C(=Nc2c(C1=O)c1CCCCCc1s2)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0481 |
| logD: | 6.0481 |
| logSw: | -5.7971 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.394 |
| InChI Key: | URUDUMRVXQJFOY-UHFFFAOYSA-N |