1-[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]-4-phenylbutan-1-one
Chemical Structure Depiction of
1-[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]-4-phenylbutan-1-one
1-[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]-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | SA12-0539 |
| Compound Name: | 1-[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]-4-phenylbutan-1-one |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | COCc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(CCCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.179 |
| logD: | 1.1789 |
| logSw: | -1.6384 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.668 |
| InChI Key: | ZCXKZDOVLSYPNA-UHFFFAOYSA-N |