rel-(6R,9S)-11-(4-propoxybenzene-1-sulfonyl)-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-propoxybenzene-1-sulfonyl)-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-propoxybenzene-1-sulfonyl)-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: | SA12-1274 |
| Compound Name: | rel-(6R,9S)-11-(4-propoxybenzene-1-sulfonyl)-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 439.54 |
| Molecular Formula: | C22 H25 N5 O3 S |
| Smiles: | CCCOc1ccc(cc1)S(N1[C@H]2CC[C@@H]1Cn1c(C2)nnc1c1cccnc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8999 |
| logD: | 1.8135 |
| logSw: | -2.0362 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.076 |
| InChI Key: | UGGFXHYUKCEVOO-UHFFFAOYSA-N |