6-(2-bromo-4,5-dimethoxyphenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxylic acid
Chemical Structure Depiction of
6-(2-bromo-4,5-dimethoxyphenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxylic acid
6-(2-bromo-4,5-dimethoxyphenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D034-0033 |
| Compound Name: | 6-(2-bromo-4,5-dimethoxyphenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxylic acid |
| Molecular Weight: | 458.35 |
| Molecular Formula: | C23 H24 Br N O4 |
| Smiles: | COc1cc(C2C3C4CCC(C4)C3c3cc(ccc3N2)C(O)=O)c(cc1OC)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1128 |
| logD: | 3.2068 |
| logSw: | -4.905 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.277 |
| InChI Key: | GHLSQIUGMKBMPJ-UHFFFAOYSA-N |