[4a-hydroxy-1-(3,4,5-trimethoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile
Chemical Structure Depiction of
[4a-hydroxy-1-(3,4,5-trimethoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile
[4a-hydroxy-1-(3,4,5-trimethoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile
Compound characteristics
| Compound ID: | 8018-1126 |
| Compound Name: | [4a-hydroxy-1-(3,4,5-trimethoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile |
| Molecular Weight: | 360.45 |
| Molecular Formula: | C20 H28 N2 O4 |
| Smiles: | COc1cc(cc(c1OC)OC)C1C2CCCCC2(CCN1CC#N)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2161 |
| logD: | 2.2042 |
| logSw: | -2.5125 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.041 |
| InChI Key: | DTQHIYZOPBPETJ-UHFFFAOYSA-N |