3-(4-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-(4-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)-1lambda~6~-thiolane-1,1-dione
3-(4-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D468-0950 |
| Compound Name: | 3-(4-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C21 H24 N2 O6 S2 |
| Smiles: | [H]C([H])(C(c1ccc(c(c1)OC)OC)=O)SC1C2CCCC=2N(C2CCS(C2)(=O)=O)C(N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0881 |
| logD: | 1.0881 |
| logSw: | -2.2303 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 80.652 |
| InChI Key: | DYRVGFBSOBNLAH-CQSZACIVSA-N |