N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]acetamide
Chemical Structure Depiction of
N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]acetamide
N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]acetamide
Compound characteristics
| Compound ID: | F527-0643 |
| Compound Name: | N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]acetamide |
| Molecular Weight: | 494.88 |
| Molecular Formula: | C21 H14 Cl F3 N4 O3 S |
| Smiles: | C(C1=CC(N2C(=N1)SC(c1ccccc1[Cl])=N2)=O)NC(COc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9281 |
| logD: | 3.9278 |
| logSw: | -4.3905 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.97 |
| InChI Key: | MKQHMCAMEBQGDR-UHFFFAOYSA-N |