2-[3-(3,4-dichlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(3-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[3-(3,4-dichlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(3-fluorophenyl)acetamide
2-[3-(3,4-dichlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C258-0728 |
| Compound Name: | 2-[3-(3,4-dichlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 518.39 |
| Molecular Formula: | C24 H18 Cl2 F N3 O3 S |
| Smiles: | C1CCc2c(C1)c1C(N(C(N(CC(Nc3cccc(c3)F)=O)c1s2)=O)c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9549 |
| logD: | 5.9548 |
| logSw: | -6.5191 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.177 |
| InChI Key: | AIBNZVRZKJCOCE-UHFFFAOYSA-N |