2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G432-0072 |
| Compound Name: | 2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 428.45 |
| Molecular Formula: | C17 H15 F3 N4 O2 S2 |
| Smiles: | CCC1=NN2C(=NC(CSCC(Nc3cccc(c3)C(F)(F)F)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.9861 |
| logD: | 3.9825 |
| logSw: | -4.1351 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.324 |
| InChI Key: | YBHZTPXVRKKWON-UHFFFAOYSA-N |