3-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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: | 3683-0132 |
| Compound Name: | 3-(4-methoxyphenyl)-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: | 476.62 |
| Molecular Formula: | C26 H24 N2 O3 S2 |
| Smiles: | COc1ccc(cc1)N1C(=Nc2c(C1=O)c1CCCCCc1s2)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5228 |
| logD: | 5.5228 |
| logSw: | -5.4226 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.104 |
| InChI Key: | XDJCJPHOQFBUCF-UHFFFAOYSA-N |