3-(4-methylphenyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-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: | 3807-0901 |
| Compound Name: | 3-(4-methylphenyl)-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: | Cc1ccc(cc1)N1C(=Nc2c(C1=O)c1CCCCCc1s2)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9638 |
| logD: | 5.9638 |
| logSw: | -5.4649 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.56 |
| InChI Key: | QPBWUYXSOPSTGT-UHFFFAOYSA-N |