[rel-(6R,9S)-3-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl](pyridin-2-yl)methanone
Chemical Structure Depiction of
[rel-(6R,9S)-3-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl](pyridin-2-yl)methanone
[rel-(6R,9S)-3-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl](pyridin-2-yl)methanone
Compound characteristics
| Compound ID: | SA12-0251 |
| Compound Name: | [rel-(6R,9S)-3-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl](pyridin-2-yl)methanone |
| Molecular Weight: | 311.38 |
| Molecular Formula: | C17 H21 N5 O |
| Smiles: | CC(C)c1nnc2C[C@@H]3CC[C@H](Cn12)N3C(c1ccccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4938 |
| logD: | 0.4935 |
| logSw: | -1.3542 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.844 |
| InChI Key: | WGPCRWPCBTXEQI-OLZOCXBDSA-N |