2-{7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-{7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}-N-(propan-2-yl)acetamide
2-{7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}-N-(propan-2-yl)acetamide
Compound characteristics
Compound ID: | P032-1877 |
Compound Name: | 2-{7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}-N-(propan-2-yl)acetamide |
Molecular Weight: | 393.37 |
Molecular Formula: | C18 H18 F3 N5 O2 |
Smiles: | CC(C)NC(CN1C(N2C(C=C(C)N=C2c2ccc(cc2)C(F)(F)F)=N1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.5906 |
logD: | 2.4642 |
logSw: | -2.9768 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.441 |
InChI Key: | YGRROBRRAUPLNO-UHFFFAOYSA-N |