N-{[2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]acetamide
N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]acetamide
Compound characteristics
| Compound ID: | F527-0558 |
| Compound Name: | N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]acetamide |
| Molecular Weight: | 490.46 |
| Molecular Formula: | C22 H17 F3 N4 O4 S |
| Smiles: | COc1ccc(cc1)C1=NN2C(=NC(CNC(COc3cccc(c3)C(F)(F)F)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.4973 |
| logD: | 3.4966 |
| logSw: | -3.9775 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.514 |
| InChI Key: | VWSOQEULYXXMQI-UHFFFAOYSA-N |