4-[([(4-chlorophenyl)methyl]{[3-(methylsulfanyl)phenyl]carbamothioyl}amino)methyl]benzoic acid
Chemical Structure Depiction of
4-[([(4-chlorophenyl)methyl]{[3-(methylsulfanyl)phenyl]carbamothioyl}amino)methyl]benzoic acid
4-[([(4-chlorophenyl)methyl]{[3-(methylsulfanyl)phenyl]carbamothioyl}amino)methyl]benzoic acid
Compound characteristics
| Compound ID: | K784-4936 |
| Compound Name: | 4-[([(4-chlorophenyl)methyl]{[3-(methylsulfanyl)phenyl]carbamothioyl}amino)methyl]benzoic acid |
| Molecular Weight: | 457.01 |
| Molecular Formula: | C23 H21 Cl N2 O2 S2 |
| Smiles: | CSc1cccc(c1)NC(N(Cc1ccc(cc1)C(O)=O)Cc1ccc(cc1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 6.0071 |
| logD: | 3.0356 |
| logSw: | -5.8931 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.836 |
| InChI Key: | JLROZTKGLLPFGT-UHFFFAOYSA-N |