N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(trifluoromethyl)benzamide
N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | F527-0679 |
| Compound Name: | N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(trifluoromethyl)benzamide |
| Molecular Weight: | 464.85 |
| Molecular Formula: | C20 H12 Cl F3 N4 O2 S |
| Smiles: | C(C1=CC(N2C(=N1)SC(c1ccccc1[Cl])=N2)=O)NC(c1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8839 |
| logD: | 3.8541 |
| logSw: | -4.4017 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.684 |
| InChI Key: | XJLSXDNKGDOJSZ-UHFFFAOYSA-N |