rel-(6R,9S)-N,3-diphenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
Chemical Structure Depiction of
rel-(6R,9S)-N,3-diphenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
rel-(6R,9S)-N,3-diphenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
Compound characteristics
| Compound ID: | SA12-0844 |
| Compound Name: | rel-(6R,9S)-N,3-diphenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide |
| Molecular Weight: | 359.43 |
| Molecular Formula: | C21 H21 N5 O |
| Smiles: | C1C[C@@H]2Cn3c(C[C@H]1N2C(Nc1ccccc1)=O)nnc3c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2347 |
| logD: | 2.2346 |
| logSw: | -2.7088 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.345 |
| InChI Key: | VVPPWMRWBWCXGI-UHFFFAOYSA-N |