3-(pyrazin-2-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
3-(pyrazin-2-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
3-(pyrazin-2-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | CM3850-2347 |
| Compound Name: | 3-(pyrazin-2-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 416.4 |
| Molecular Formula: | C20 H19 F3 N6 O |
| Smiles: | C1CCc2nnc(c3cnccn3)n2C(C1)C(NCc1ccccc1C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9689 |
| logD: | 1.9678 |
| logSw: | -2.1634 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.241 |
| InChI Key: | BKMIOLHBFFFUNG-INIZCTEOSA-N |