(furan-3-yl)[rel-(6R,9S)-3-(methoxymethyl)-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-3-yl)[rel-(6R,9S)-3-(methoxymethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone
(furan-3-yl)[rel-(6R,9S)-3-(methoxymethyl)-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: | SA12-0519 |
| Compound Name: | (furan-3-yl)[rel-(6R,9S)-3-(methoxymethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone |
| Molecular Weight: | 302.33 |
| Molecular Formula: | C15 H18 N4 O3 |
| Smiles: | COCc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(c1ccoc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.6823 |
| logD: | -0.6823 |
| logSw: | -1.3178 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.999 |
| InChI Key: | MDPDBZJZCHGGJS-UHFFFAOYSA-N |