6-[4-(cyanomethoxy)phenyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid
Chemical Structure Depiction of
6-[4-(cyanomethoxy)phenyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid
6-[4-(cyanomethoxy)phenyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid
Compound characteristics
| Compound ID: | D034-0063 |
| Compound Name: | 6-[4-(cyanomethoxy)phenyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C23 H22 N2 O3 |
| Smiles: | C1CC2CC1C1C2c2cccc(C(O)=O)c2NC1c1ccc(cc1)OCC#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6531 |
| logD: | 1.1854 |
| logSw: | -3.8754 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.674 |
| InChI Key: | SKAMMVILYOBIPE-UHFFFAOYSA-N |