[1-(4-methoxyphenyl)cyclopropyl][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]methanone
Chemical Structure Depiction of
[1-(4-methoxyphenyl)cyclopropyl][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]methanone
[1-(4-methoxyphenyl)cyclopropyl][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]methanone
Compound characteristics
| Compound ID: | SA12-1122 |
| Compound Name: | [1-(4-methoxyphenyl)cyclopropyl][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]methanone |
| Molecular Weight: | 414.51 |
| Molecular Formula: | C25 H26 N4 O2 |
| Smiles: | COc1ccc(cc1)C1(CC1)C(N1[C@H]2CC[C@@H]1Cn1c(C2)nnc1c1ccccc1)=O |
| Stereo: | RELATIVE |
| logP: | 2.5802 |
| logD: | 2.5802 |
| logSw: | -2.6295 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.32 |
| InChI Key: | JINOWVOELASYIO-UHFFFAOYSA-N |