[5-bromo-2-(2H-tetrazol-2-yl)phenyl](4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone
Chemical Structure Depiction of
[5-bromo-2-(2H-tetrazol-2-yl)phenyl](4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone
[5-bromo-2-(2H-tetrazol-2-yl)phenyl](4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone
Compound characteristics
| Compound ID: | Y041-5213 |
| Compound Name: | [5-bromo-2-(2H-tetrazol-2-yl)phenyl](4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone |
| Molecular Weight: | 406.28 |
| Molecular Formula: | C17 H20 Br N5 O2 |
| Smiles: | C1CCC2(CCN(CC2C1)C(c1cc(ccc1n1ncnn1)[Br])=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4437 |
| logD: | 2.4437 |
| logSw: | -2.7508 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.711 |
| InChI Key: | OKHWUNWWGOJHHN-UHFFFAOYSA-N |