[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](1,3-thiazol-4-yl)methanone
Chemical Structure Depiction of
[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](1,3-thiazol-4-yl)methanone
[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](1,3-thiazol-4-yl)methanone
Compound characteristics
| Compound ID: | SA12-0871 |
| Compound Name: | [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](1,3-thiazol-4-yl)methanone |
| Molecular Weight: | 351.43 |
| Molecular Formula: | C18 H17 N5 O S |
| Smiles: | C1C[C@@H]2Cn3c(C[C@H]1N2C(c1cscn1)=O)nnc3c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3533 |
| logD: | 1.3533 |
| logSw: | -2.0119 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.152 |
| InChI Key: | CHAYOQHHTAUAFZ-UHFFFAOYSA-N |