rel-(6R,9S)-3-(2-methoxyethyl)-N-{[4-(trifluoromethoxy)phenyl]methyl}-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
Chemical Structure Depiction of
rel-(6R,9S)-3-(2-methoxyethyl)-N-{[4-(trifluoromethoxy)phenyl]methyl}-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
rel-(6R,9S)-3-(2-methoxyethyl)-N-{[4-(trifluoromethoxy)phenyl]methyl}-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
Compound characteristics
| Compound ID: | SA12-0714 |
| Compound Name: | rel-(6R,9S)-3-(2-methoxyethyl)-N-{[4-(trifluoromethoxy)phenyl]methyl}-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide |
| Molecular Weight: | 439.44 |
| Molecular Formula: | C20 H24 F3 N5 O3 |
| Smiles: | COCCc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(NCc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4409 |
| logD: | 1.4409 |
| logSw: | -1.9605 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.194 |
| InChI Key: | IESCUEGMCDDSMX-UHFFFAOYSA-N |