methyl 4-[(4-fluorophenyl)sulfanyl]-3-({[3-(trifluoromethyl)phenyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-[(4-fluorophenyl)sulfanyl]-3-({[3-(trifluoromethyl)phenyl]carbamothioyl}amino)benzoate
methyl 4-[(4-fluorophenyl)sulfanyl]-3-({[3-(trifluoromethyl)phenyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | K786-1337 |
| Compound Name: | methyl 4-[(4-fluorophenyl)sulfanyl]-3-({[3-(trifluoromethyl)phenyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 480.5 |
| Molecular Formula: | C22 H16 F4 N2 O2 S2 |
| Smiles: | COC(c1ccc(c(c1)NC(Nc1cccc(c1)C(F)(F)F)=S)Sc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.3394 |
| logD: | 7.3394 |
| logSw: | -5.9067 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.265 |
| InChI Key: | UETPHKSHIXXEGX-UHFFFAOYSA-N |