4-[([(3,4-dimethoxyphenyl)methyl]{[3-(trifluoromethyl)phenyl]carbamothioyl}amino)methyl]benzoic acid
Chemical Structure Depiction of
4-[([(3,4-dimethoxyphenyl)methyl]{[3-(trifluoromethyl)phenyl]carbamothioyl}amino)methyl]benzoic acid
4-[([(3,4-dimethoxyphenyl)methyl]{[3-(trifluoromethyl)phenyl]carbamothioyl}amino)methyl]benzoic acid
Compound characteristics
| Compound ID: | K784-4718 |
| Compound Name: | 4-[([(3,4-dimethoxyphenyl)methyl]{[3-(trifluoromethyl)phenyl]carbamothioyl}amino)methyl]benzoic acid |
| Molecular Weight: | 504.53 |
| Molecular Formula: | C25 H23 F3 N2 O4 S |
| Smiles: | COc1ccc(CN(Cc2ccc(cc2)C(O)=O)C(Nc2cccc(c2)C(F)(F)F)=S)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.5677 |
| logD: | 2.5962 |
| logSw: | -5.4846 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.097 |
| InChI Key: | VIWDCBVOCTYPRG-UHFFFAOYSA-N |