4-[([(3-bromophenyl)methyl]{[3-(trifluoromethyl)phenyl]carbamothioyl}amino)methyl]cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-[([(3-bromophenyl)methyl]{[3-(trifluoromethyl)phenyl]carbamothioyl}amino)methyl]cyclohexane-1-carboxylic acid
4-[([(3-bromophenyl)methyl]{[3-(trifluoromethyl)phenyl]carbamothioyl}amino)methyl]cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K784-4742 |
| Compound Name: | 4-[([(3-bromophenyl)methyl]{[3-(trifluoromethyl)phenyl]carbamothioyl}amino)methyl]cyclohexane-1-carboxylic acid |
| Molecular Weight: | 529.42 |
| Molecular Formula: | C23 H24 Br F3 N2 O2 S |
| Smiles: | C1CC(CCC1CN(Cc1cccc(c1)[Br])C(Nc1cccc(c1)C(F)(F)F)=S)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2882 |
| logD: | 3.7279 |
| logSw: | -5.9785 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.028 |
| InChI Key: | DXZYWEFSAMATLD-UHFFFAOYSA-N |