(furan-2-yl)[rel-(6R,9S)-3-phenyl-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
(furan-2-yl)[rel-(6R,9S)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone
(furan-2-yl)[rel-(6R,9S)-3-phenyl-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: | SA12-0881 |
| Compound Name: | (furan-2-yl)[rel-(6R,9S)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone |
| Molecular Weight: | 334.38 |
| Molecular Formula: | C19 H18 N4 O2 |
| Smiles: | C1C[C@@H]2Cn3c(C[C@H]1N2C(c1ccco1)=O)nnc3c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4166 |
| logD: | 1.4166 |
| logSw: | -1.4965 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.103 |
| InChI Key: | JMQMHFVPHOJAIZ-UHFFFAOYSA-N |