3-phenyl-N-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
3-phenyl-N-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
3-phenyl-N-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | T149-0865 |
| Compound Name: | 3-phenyl-N-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 298.39 |
| Molecular Formula: | C17 H22 N4 O |
| Smiles: | CC(C)NC(C1CCCCc2nnc(c3ccccc3)n12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2717 |
| logD: | 2.2716 |
| logSw: | -2.5339 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.921 |
| InChI Key: | JVGGNAHMZCNJPO-AWEZNQCLSA-N |