N-(3-chlorophenyl)-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]acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-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]acetamide
N-(3-chlorophenyl)-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]acetamide
Compound characteristics
| Compound ID: | C258-0573 |
| Compound Name: | N-(3-chlorophenyl)-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]acetamide |
| Molecular Weight: | 514.43 |
| Molecular Formula: | C25 H21 Cl2 N3 O3 S |
| Smiles: | C1CCc2c3C(N(C(N(CC(Nc4cccc(c4)[Cl])=O)c3sc2CC1)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.3068 |
| logD: | 6.3067 |
| logSw: | -6.5044 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.508 |
| InChI Key: | KEKDLACWRMOFKZ-UHFFFAOYSA-N |