2-[3-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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: | C258-0558 |
| Compound Name: | 2-[3-(4-chlorophenyl)-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: | 483.97 |
| Molecular Formula: | C24 H22 Cl N3 O4 S |
| Smiles: | C1CCc2c3C(N(C(N(CC(NCc4ccco4)=O)c3sc2CC1)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8816 |
| logD: | 4.8816 |
| logSw: | -5.186 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.579 |
| InChI Key: | KCHKDSFQHVINLD-UHFFFAOYSA-N |