3-oxo-N-[(pyridin-2-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
3-oxo-N-[(pyridin-2-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
3-oxo-N-[(pyridin-2-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | S894-0022 |
| Compound Name: | 3-oxo-N-[(pyridin-2-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 287.32 |
| Molecular Formula: | C14 H17 N5 O2 |
| Smiles: | C1CCC2=NNC(N2C(C1)C(NCc1ccccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4785 |
| logD: | 0.4769 |
| logSw: | -1.4962 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.778 |
| InChI Key: | GKXRJBHDIPZPRV-NSHDSACASA-N |