2-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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: | SA12-0045 |
| Compound Name: | 2-cyclohexyl-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: | 302.42 |
| Molecular Formula: | C17 H26 N4 O |
| Smiles: | Cc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(CC1CCCCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.202 |
| logD: | 1.2017 |
| logSw: | -1.2364 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.237 |
| InChI Key: | DJPNRYMEFLHYLF-UHFFFAOYSA-N |