2-cyclopentyl-1-[rel-(6R,9S)-3-ethyl-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-cyclopentyl-1-[rel-(6R,9S)-3-ethyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one
2-cyclopentyl-1-[rel-(6R,9S)-3-ethyl-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: | SA12-0152 |
| Compound Name: | 2-cyclopentyl-1-[rel-(6R,9S)-3-ethyl-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: | CCc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(CC1CCCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1493 |
| logD: | 1.1484 |
| logSw: | -1.0324 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.803 |
| InChI Key: | CDEOQTDCXNYJOW-UHFFFAOYSA-N |