3-(1H-indol-3-yl)-1-[rel-(6R,9S)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]propan-1-one
Chemical Structure Depiction of
3-(1H-indol-3-yl)-1-[rel-(6R,9S)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]propan-1-one
3-(1H-indol-3-yl)-1-[rel-(6R,9S)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]propan-1-one
Compound characteristics
| Compound ID: | SA12-0024 |
| Compound Name: | 3-(1H-indol-3-yl)-1-[rel-(6R,9S)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]propan-1-one |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C20 H23 N5 O |
| Smiles: | Cc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(CCc1c[nH]c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8435 |
| logD: | 0.8432 |
| logSw: | -1.9206 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.916 |
| InChI Key: | LCSFTJBCLMZBIM-UHFFFAOYSA-N |