rel-(6R,9S)-2-benzyl-N-[(furan-2-yl)methyl]-3-oxo-2,3,5,6,7,8,9,10-octahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
Chemical Structure Depiction of
rel-(6R,9S)-2-benzyl-N-[(furan-2-yl)methyl]-3-oxo-2,3,5,6,7,8,9,10-octahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
rel-(6R,9S)-2-benzyl-N-[(furan-2-yl)methyl]-3-oxo-2,3,5,6,7,8,9,10-octahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
Compound characteristics
| Compound ID: | SA13-0838 |
| Compound Name: | rel-(6R,9S)-2-benzyl-N-[(furan-2-yl)methyl]-3-oxo-2,3,5,6,7,8,9,10-octahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C21 H23 N5 O3 |
| Smiles: | C1C[C@@H]2CN3C(C[C@H]1N2C(NCc1ccco1)=O)=NN(Cc1ccccc1)C3=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1052 |
| logD: | 2.1052 |
| logSw: | -2.5443 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.669 |
| InChI Key: | WECPTGQLQYHUOU-SJORKVTESA-N |