N-(3-chloro-4-fluorophenyl)-2-[3-(4-chlorophenyl)-2,4-dioxo-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-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C258-0681 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide |
| Molecular Weight: | 518.39 |
| Molecular Formula: | C24 H18 Cl2 F N3 O3 S |
| Smiles: | C1CCc2c(C1)c1C(N(C(N(CC(Nc3ccc(c(c3)[Cl])F)=O)c1s2)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7874 |
| logD: | 5.7825 |
| logSw: | -6.3824 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.177 |
| InChI Key: | UROZTJOPNZHKPG-UHFFFAOYSA-N |