methyl 4-[(4-fluorophenyl)sulfanyl]-3-({[3-(methylsulfanyl)phenyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-[(4-fluorophenyl)sulfanyl]-3-({[3-(methylsulfanyl)phenyl]carbamothioyl}amino)benzoate
methyl 4-[(4-fluorophenyl)sulfanyl]-3-({[3-(methylsulfanyl)phenyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | K786-1336 |
| Compound Name: | methyl 4-[(4-fluorophenyl)sulfanyl]-3-({[3-(methylsulfanyl)phenyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 458.59 |
| Molecular Formula: | C22 H19 F N2 O2 S3 |
| Smiles: | COC(c1ccc(c(c1)NC(Nc1cccc(c1)SC)=S)Sc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7571 |
| logD: | 6.7571 |
| logSw: | -5.7851 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.265 |
| InChI Key: | XJNVIRFIIBCGGU-UHFFFAOYSA-N |