2-(azepan-1-yl)-1-[rel-(6R,9S)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one
Chemical Structure Depiction of
2-(azepan-1-yl)-1-[rel-(6R,9S)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one
2-(azepan-1-yl)-1-[rel-(6R,9S)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one
Compound characteristics
| Compound ID: | SA12-0093 |
| Compound Name: | 2-(azepan-1-yl)-1-[rel-(6R,9S)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one |
| Molecular Weight: | 317.43 |
| Molecular Formula: | C17 H27 N5 O |
| Smiles: | Cc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(CN1CCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2783 |
| logD: | -1.0372 |
| logSw: | -0.0953 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.381 |
| InChI Key: | ZBRUDDYPOVAUBW-UHFFFAOYSA-N |