3-oxo-N-[2-(pyridin-3-yl)ethyl]-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
3-oxo-N-[2-(pyridin-3-yl)ethyl]-2-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
3-oxo-N-[2-(pyridin-3-yl)ethyl]-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: | S906-0460 |
| Compound Name: | 3-oxo-N-[2-(pyridin-3-yl)ethyl]-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: | 392.46 |
| Molecular Formula: | C21 H24 N6 O2 |
| Smiles: | C1CC2=NN(Cc3ccncc3)C(N2CCC1C(NCCc1cccnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.0963 |
| logD: | 0.093 |
| logSw: | -0.782 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.717 |
| InChI Key: | GIBGCFKFXBEXKO-GOSISDBHSA-N |