(isoquinolin-1-yl)[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]methanone
Chemical Structure Depiction of
(isoquinolin-1-yl)[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]methanone
(isoquinolin-1-yl)[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]methanone
Compound characteristics
| Compound ID: | SA12-0030 |
| Compound Name: | (isoquinolin-1-yl)[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]methanone |
| Molecular Weight: | 333.39 |
| Molecular Formula: | C19 H19 N5 O |
| Smiles: | Cc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(c1c2ccccc2ccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.371 |
| logD: | 0.3709 |
| logSw: | -1.8475 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.119 |
| InChI Key: | AKIXARNQIVBAIH-UHFFFAOYSA-N |