N-(3-chloro-4-fluorophenyl)-2-(2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-(2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)acetamide
N-(3-chloro-4-fluorophenyl)-2-(2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C258-0636 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-(2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)acetamide |
| Molecular Weight: | 483.95 |
| Molecular Formula: | C24 H19 Cl F N3 O3 S |
| Smiles: | C1CCc2c(C1)c1C(N(C(N(CC(Nc3ccc(c(c3)[Cl])F)=O)c1s2)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0712 |
| logD: | 5.0662 |
| logSw: | -5.7019 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.177 |
| InChI Key: | PIAINYZRTSVGRL-UHFFFAOYSA-N |