rel-(6R,9S)-11-(4-methoxybenzene-1-sulfonyl)-3-methyl-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-methoxybenzene-1-sulfonyl)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
rel-(6R,9S)-11-(4-methoxybenzene-1-sulfonyl)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Compound characteristics
| Compound ID: | SA12-0058 |
| Compound Name: | rel-(6R,9S)-11-(4-methoxybenzene-1-sulfonyl)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C16 H20 N4 O3 S |
| Smiles: | Cc1nnc2C[C@@H]3CC[C@H](Cn12)N3S(c1ccc(cc1)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3671 |
| logD: | 0.367 |
| logSw: | -2.2482 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.733 |
| InChI Key: | IIDKJTCCFRAJIQ-UHFFFAOYSA-N |