(1-phenylcyclopropyl)[rel-(6R,9S)-3-(pyridin-3-yl)-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
(1-phenylcyclopropyl)[rel-(6R,9S)-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone
(1-phenylcyclopropyl)[rel-(6R,9S)-3-(pyridin-3-yl)-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: | SA12-1252 |
| Compound Name: | (1-phenylcyclopropyl)[rel-(6R,9S)-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone |
| Molecular Weight: | 385.47 |
| Molecular Formula: | C23 H23 N5 O |
| Smiles: | C1C[C@@H]2Cn3c(C[C@H]1N2C(C1(CC1)c1ccccc1)=O)nnc3c1cccnc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1173 |
| logD: | 1.0308 |
| logSw: | -0.9653 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.294 |
| InChI Key: | BGILFKNYLCDUTG-UHFFFAOYSA-N |