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-(3-methoxypropyl)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-(3-methoxypropyl)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-(3-methoxypropyl)acetamide
Compound characteristics
| Compound ID: | C258-0586 |
| 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-(3-methoxypropyl)acetamide |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C25 H31 N3 O5 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2c3CCCCCc3sc2N(CC(NCCCOC)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4387 |
| logD: | 3.4387 |
| logSw: | -3.7365 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.409 |
| InChI Key: | WEQLHNMFHFTSMS-UHFFFAOYSA-N |