2-[3-(4-ethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[3-(4-ethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-[(oxolan-2-yl)methyl]acetamide
2-[3-(4-ethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C258-0182 |
| Compound Name: | 2-[3-(4-ethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C25 H29 N3 O5 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2c3CCCCc3sc2N(CC(NCC2CCCO2)=O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8648 |
| logD: | 2.8648 |
| logSw: | -3.3738 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.277 |
| InChI Key: | ZOLWGTUTXKETEY-GOSISDBHSA-N |