2-[3-(4-ethoxyphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[3-(4-ethoxyphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-[(furan-2-yl)methyl]acetamide
2-[3-(4-ethoxyphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C258-0583 |
| Compound Name: | 2-[3-(4-ethoxyphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C26 H27 N3 O5 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2c3CCCCCc3sc2N(CC(NCc2ccco2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6558 |
| logD: | 4.6558 |
| logSw: | -4.2796 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.702 |
| InChI Key: | OKKSEMOAPZCRHW-UHFFFAOYSA-N |