6-[4-(cyanomethoxy)phenyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxylic acid
Chemical Structure Depiction of
6-[4-(cyanomethoxy)phenyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxylic acid
6-[4-(cyanomethoxy)phenyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D034-0029 |
| Compound Name: | 6-[4-(cyanomethoxy)phenyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxylic acid |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C23 H22 N2 O3 |
| Smiles: | C1CC2CC1C1C2c2cc(ccc2NC1c1ccc(cc1)OCC#N)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4084 |
| logD: | 2.5024 |
| logSw: | -4.4432 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.926 |
| InChI Key: | JHWRVAHKERMXFW-UHFFFAOYSA-N |