2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-[(furan-2-yl)methyl]acetamide
2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C258-0258 |
| Compound Name: | 2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 495.55 |
| Molecular Formula: | C25 H25 N3 O6 S |
| Smiles: | COc1ccc(c(c1)OC)N1C(c2c3CCCCc3sc2N(CC(NCc2ccco2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.994 |
| logD: | 3.994 |
| logSw: | -4.4183 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.121 |
| InChI Key: | DOOBVQFGMJGKER-UHFFFAOYSA-N |