2-(azepan-1-yl)-1-[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]ethan-1-one
Chemical Structure Depiction of
2-(azepan-1-yl)-1-[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]ethan-1-one
2-(azepan-1-yl)-1-[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]ethan-1-one
Compound characteristics
| Compound ID: | SA12-0910 |
| Compound Name: | 2-(azepan-1-yl)-1-[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]ethan-1-one |
| Molecular Weight: | 379.5 |
| Molecular Formula: | C22 H29 N5 O |
| Smiles: | C1CCCN(CC1)CC(N1[C@H]2CC[C@@H]1Cn1c(C2)nnc1c1ccccc1)=O |
| Stereo: | RELATIVE |
| logP: | 1.6531 |
| logD: | 0.8942 |
| logSw: | -1.975 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.332 |
| InChI Key: | PTAKBWHEXQGQEY-UHFFFAOYSA-N |