rel-(6R,9S)-11-(4-fluoro-3-methylbenzene-1-sulfonyl)-3-(propan-2-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-fluoro-3-methylbenzene-1-sulfonyl)-3-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
rel-(6R,9S)-11-(4-fluoro-3-methylbenzene-1-sulfonyl)-3-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Compound characteristics
| Compound ID: | SA12-0230 |
| Compound Name: | rel-(6R,9S)-11-(4-fluoro-3-methylbenzene-1-sulfonyl)-3-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 378.47 |
| Molecular Formula: | C18 H23 F N4 O2 S |
| Smiles: | CC(C)c1nnc2C[C@@H]3CC[C@H](Cn12)N3S(c1ccc(c(C)c1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0768 |
| logD: | 2.0765 |
| logSw: | -2.5672 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.412 |
| InChI Key: | PNWGETLAZIWSKB-KGLIPLIRSA-N |