N-{2-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{2-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzamide
N-{2-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | F518-0639 |
| Compound Name: | N-{2-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzamide |
| Molecular Weight: | 457.48 |
| Molecular Formula: | C22 H18 F3 N5 O S |
| Smiles: | CCc1cc(n2c(n1)nc(C)n2)Sc1ccccc1NC(c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9408 |
| logD: | 4.9407 |
| logSw: | -4.6036 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.503 |
| InChI Key: | ZHJUGBNNKGJNRE-UHFFFAOYSA-N |