[rel-(6R,9S)-3-(2-methoxyethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl](thiophen-2-yl)methanone
Chemical Structure Depiction of
[rel-(6R,9S)-3-(2-methoxyethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl](thiophen-2-yl)methanone
[rel-(6R,9S)-3-(2-methoxyethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl](thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | SA12-0632 |
| Compound Name: | [rel-(6R,9S)-3-(2-methoxyethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl](thiophen-2-yl)methanone |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C16 H20 N4 O2 S |
| Smiles: | COCCc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2545 |
| logD: | 0.2544 |
| logSw: | -1.8364 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.133 |
| InChI Key: | VYILDALXZZSMEL-UHFFFAOYSA-N |