rel-(6R,9S)-11-[(4-chlorophenyl)methanesulfonyl]-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Chemical Structure Depiction of
rel-(6R,9S)-11-[(4-chlorophenyl)methanesulfonyl]-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
rel-(6R,9S)-11-[(4-chlorophenyl)methanesulfonyl]-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Compound characteristics
| Compound ID: | SA12-1271 |
| Compound Name: | rel-(6R,9S)-11-[(4-chlorophenyl)methanesulfonyl]-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 429.93 |
| Molecular Formula: | C20 H20 Cl N5 O2 S |
| Smiles: | C1C[C@@H]2Cn3c(C[C@H]1N2S(Cc1ccc(cc1)[Cl])(=O)=O)nnc3c1cccnc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.183 |
| logD: | 1.0966 |
| logSw: | -2.3907 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.553 |
| InChI Key: | RKLVAOFWIRJYHX-UHFFFAOYSA-N |