methyl 4-[(4-methylphenyl)sulfanyl]-3-({[3-(trifluoromethyl)phenyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-[(4-methylphenyl)sulfanyl]-3-({[3-(trifluoromethyl)phenyl]carbamothioyl}amino)benzoate
methyl 4-[(4-methylphenyl)sulfanyl]-3-({[3-(trifluoromethyl)phenyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | K786-1397 |
| Compound Name: | methyl 4-[(4-methylphenyl)sulfanyl]-3-({[3-(trifluoromethyl)phenyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 476.54 |
| Molecular Formula: | C23 H19 F3 N2 O2 S2 |
| Smiles: | Cc1ccc(cc1)Sc1ccc(cc1NC(Nc1cccc(c1)C(F)(F)F)=S)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 7.7337 |
| logD: | 7.7337 |
| logSw: | -5.8161 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.265 |
| InChI Key: | NLSZAUTUEVQQLU-UHFFFAOYSA-N |