(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)[3-(1H-tetrazol-1-yl)phenyl]methanone
Chemical Structure Depiction of
(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)[3-(1H-tetrazol-1-yl)phenyl]methanone
(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)[3-(1H-tetrazol-1-yl)phenyl]methanone
Compound characteristics
| Compound ID: | IB06-2469 |
| Compound Name: | (4a-hydroxyoctahydroisoquinolin-2(1H)-yl)[3-(1H-tetrazol-1-yl)phenyl]methanone |
| Molecular Weight: | 327.38 |
| Molecular Formula: | C17 H21 N5 O2 |
| Smiles: | [H]C12CCCCC2(CCN(C1)C(c1cccc(c1)n1cnnn1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.41 |
| logD: | 1.41 |
| logSw: | -2.25 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 128.75 |
| InChI Key: | KRVHHBFEEKZFCG-UHFFFAOYSA-N |