6-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid
Chemical Structure Depiction of
6-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid
6-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid
Compound characteristics
| Compound ID: | 8017-2856 |
| Compound Name: | 6-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid |
| Molecular Weight: | 489.84 |
| Molecular Formula: | C23 H18 Cl F6 N O2 |
| Smiles: | C1CC2CC1C1C2c2cc(cc(C(O)=O)c2NC1c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7164 |
| logD: | 3.9836 |
| logSw: | -6.1307 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.764 |
| InChI Key: | RDFIXTNXKOUBJW-UHFFFAOYSA-N |