(1H-indol-4-yl)[rel-(6R,9S)-3-methyl-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
(1H-indol-4-yl)[rel-(6R,9S)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone
(1H-indol-4-yl)[rel-(6R,9S)-3-methyl-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: | SA12-0037 |
| Compound Name: | (1H-indol-4-yl)[rel-(6R,9S)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone |
| Molecular Weight: | 321.38 |
| Molecular Formula: | C18 H19 N5 O |
| Smiles: | Cc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(c1cccc2c1cc[nH]2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2905 |
| logD: | 0.2904 |
| logSw: | -1.9862 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.354 |
| InChI Key: | FTLUFQUZTHVVQW-UHFFFAOYSA-N |