rel-(6R,9S)-3-ethyl-11-[(3-fluoropyridin-4-yl)methyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Chemical Structure Depiction of
rel-(6R,9S)-3-ethyl-11-[(3-fluoropyridin-4-yl)methyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
rel-(6R,9S)-3-ethyl-11-[(3-fluoropyridin-4-yl)methyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Compound characteristics
| Compound ID: | SA12-0146 |
| Compound Name: | rel-(6R,9S)-3-ethyl-11-[(3-fluoropyridin-4-yl)methyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 301.36 |
| Molecular Formula: | C16 H20 F N5 |
| Smiles: | CCc1nnc2C[C@@H]3CC[C@H](Cn12)N3Cc1ccncc1F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7553 |
| logD: | 0.7548 |
| logSw: | -0.5814 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.705 |
| InChI Key: | MBTONDHWMJTCJC-UHFFFAOYSA-N |