2-[3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
Compound ID: | C656-0333 |
Compound Name: | 2-[3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide |
Molecular Weight: | 428.37 |
Molecular Formula: | C20 H15 F3 N6 O2 |
Smiles: | Cc1ccc(cc1)n1c2c(C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)C=N2)=O)nn1 |
Stereo: | ACHIRAL |
logP: | 3.3599 |
logD: | 3.3596 |
logSw: | -3.5721 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 76.308 |
InChI Key: | GSQZSAYZQZLURN-UHFFFAOYSA-N |