(2,5-difluorophenyl)[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
(2,5-difluorophenyl)[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
(2,5-difluorophenyl)[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: | SA12-0641 |
| Compound Name: | (2,5-difluorophenyl)[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: | 362.38 |
| Molecular Formula: | C18 H20 F2 N4 O2 |
| Smiles: | COCCc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(c1cc(ccc1F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6801 |
| logD: | 0.6801 |
| logSw: | -2.0805 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.114 |
| InChI Key: | BTVBDBXIUURMQH-UHFFFAOYSA-N |