N-(2-methylpropyl)-3-oxo-2-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
N-(2-methylpropyl)-3-oxo-2-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
N-(2-methylpropyl)-3-oxo-2-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0458 |
| Compound Name: | N-(2-methylpropyl)-3-oxo-2-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 343.43 |
| Molecular Formula: | C18 H25 N5 O2 |
| Smiles: | CC(C)CNC(C1CCC2=NN(Cc3ccncc3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2862 |
| logD: | 1.2828 |
| logSw: | -1.6236 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.629 |
| InChI Key: | NYLFTEBMWNBDJY-OAHLLOKOSA-N |