[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](3-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
[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](3-methylthiophen-2-yl)methanone
[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](3-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | SA12-0532 |
| Compound Name: | [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](3-methylthiophen-2-yl)methanone |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C16 H20 N4 O2 S |
| Smiles: | Cc1ccsc1C(N1[C@H]2CC[C@@H]1Cn1c(C2)nnc1COC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3786 |
| logD: | 0.3785 |
| logSw: | -1.8369 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.214 |
| InChI Key: | VMNYFDUTDNLVTM-NEPJUHHUSA-N |