rel-(6R,9S)-2-benzyl-N-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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: | SA13-0833 |
| Compound Name: | rel-(6R,9S)-2-benzyl-N-cyclopentyl-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: | 381.48 |
| Molecular Formula: | C21 H27 N5 O2 |
| Smiles: | C1CCC(C1)NC(N1[C@H]2CC[C@@H]1CN1C(C2)=NN(Cc2ccccc2)C1=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4977 |
| logD: | 2.4977 |
| logSw: | -2.6822 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.012 |
| InChI Key: | JOAZXEIXBLIWML-UHFFFAOYSA-N |