N-[(3-chloro-4-fluorophenyl)methyl]-3-(pyrazin-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-[(3-chloro-4-fluorophenyl)methyl]-3-(pyrazin-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-[(3-chloro-4-fluorophenyl)methyl]-3-(pyrazin-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | CM3850-2345 |
| Compound Name: | N-[(3-chloro-4-fluorophenyl)methyl]-3-(pyrazin-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 400.84 |
| Molecular Formula: | C19 H18 Cl F N6 O |
| Smiles: | C1CCc2nnc(c3cnccn3)n2C(C1)C(NCc1ccc(c(c1)[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5334 |
| logD: | 1.5323 |
| logSw: | -2.5723 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.241 |
| InChI Key: | VATPBIKXOVQUAU-INIZCTEOSA-N |