4-[(5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-[(5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
4-[(5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | G768-1032 |
| Compound Name: | 4-[(5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 514.53 |
| Molecular Formula: | C24 H21 F3 N6 O2 S |
| Smiles: | C1CN(CCN1CC1=CC(N2C(=N1)SC(c1ccccc1)=N2)=O)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.609 |
| logD: | 3.5244 |
| logSw: | -3.8776 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.28 |
| InChI Key: | WEJBYACFPMLBPT-UHFFFAOYSA-N |