rel-(6R,9S)-N-[(furan-2-yl)methyl]-3-phenyl-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-[(furan-2-yl)methyl]-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
rel-(6R,9S)-N-[(furan-2-yl)methyl]-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
Compound characteristics
| Compound ID: | SA12-0899 |
| Compound Name: | rel-(6R,9S)-N-[(furan-2-yl)methyl]-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide |
| Molecular Weight: | 363.42 |
| Molecular Formula: | C20 H21 N5 O2 |
| Smiles: | C1C[C@@H]2Cn3c(C[C@H]1N2C(NCc1ccco1)=O)nnc3c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.882 |
| logD: | 1.882 |
| logSw: | -2.1329 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.416 |
| InChI Key: | FFNSXAUMOAMFSB-UHFFFAOYSA-N |