cyclohexyl[rel-(6R,9S)-3-(2-methoxyethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone
Chemical Structure Depiction of
cyclohexyl[rel-(6R,9S)-3-(2-methoxyethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone
cyclohexyl[rel-(6R,9S)-3-(2-methoxyethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone
Compound characteristics
| Compound ID: | SA12-0619 |
| Compound Name: | cyclohexyl[rel-(6R,9S)-3-(2-methoxyethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone |
| Molecular Weight: | 332.44 |
| Molecular Formula: | C18 H28 N4 O2 |
| Smiles: | COCCc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(C1CCCCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7229 |
| logD: | 0.7229 |
| logSw: | -0.6098 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.306 |
| InChI Key: | PAIHDFAZWMDNKQ-UHFFFAOYSA-N |