rel-(6R,9S)-N,N-dimethyl-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-sulfonamide
Chemical Structure Depiction of
rel-(6R,9S)-N,N-dimethyl-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-sulfonamide
rel-(6R,9S)-N,N-dimethyl-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-sulfonamide
Compound characteristics
| Compound ID: | SA12-0870 |
| Compound Name: | rel-(6R,9S)-N,N-dimethyl-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-sulfonamide |
| Molecular Weight: | 347.44 |
| Molecular Formula: | C16 H21 N5 O2 S |
| Smiles: | CN(C)S(N1[C@H]2CC[C@@H]1Cn1c(C2)nnc1c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5989 |
| logD: | 0.5989 |
| logSw: | -1.9687 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.499 |
| InChI Key: | XTOMIABYNKTUCB-UHFFFAOYSA-N |