(furan-2-yl)[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
(furan-2-yl)[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
(furan-2-yl)[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: | SA12-0681 |
| Compound Name: | (furan-2-yl)[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: | 316.36 |
| Molecular Formula: | C16 H20 N4 O3 |
| Smiles: | COCCc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.465 |
| logD: | -0.4651 |
| logSw: | -1.1189 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.693 |
| InChI Key: | OSHLYJWGNGMHAD-UHFFFAOYSA-N |