N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8014-0363 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 550.02 |
| Molecular Formula: | C25 H19 Cl F3 N3 O2 S2 |
| Smiles: | C1CCc2c(C1)c1C(N(C(=Nc1s2)SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1258 |
| logD: | 6.1096 |
| logSw: | -6.4762 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.434 |
| InChI Key: | UNQZCBJVOPXDSO-UHFFFAOYSA-N |