N-[(2,5-difluorophenyl)methyl]-2-ethyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
N-[(2,5-difluorophenyl)methyl]-2-ethyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
N-[(2,5-difluorophenyl)methyl]-2-ethyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0325 |
| Compound Name: | N-[(2,5-difluorophenyl)methyl]-2-ethyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 350.37 |
| Molecular Formula: | C17 H20 F2 N4 O2 |
| Smiles: | CCN1C(N2CCC(CCC2=N1)C(NCc1cc(ccc1F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1453 |
| logD: | 2.1452 |
| logSw: | -2.6329 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.925 |
| InChI Key: | NWVXFYBLKCZESQ-NSHDSACASA-N |