4-[([(3,4-dimethoxyphenyl)methyl]{[3-(methylsulfanyl)phenyl]carbamothioyl}amino)methyl]benzoic acid
Chemical Structure Depiction of
4-[([(3,4-dimethoxyphenyl)methyl]{[3-(methylsulfanyl)phenyl]carbamothioyl}amino)methyl]benzoic acid
4-[([(3,4-dimethoxyphenyl)methyl]{[3-(methylsulfanyl)phenyl]carbamothioyl}amino)methyl]benzoic acid
Compound characteristics
| Compound ID: | K784-4729 |
| Compound Name: | 4-[([(3,4-dimethoxyphenyl)methyl]{[3-(methylsulfanyl)phenyl]carbamothioyl}amino)methyl]benzoic acid |
| Molecular Weight: | 482.62 |
| Molecular Formula: | C25 H26 N2 O4 S2 |
| Smiles: | COc1ccc(CN(Cc2ccc(cc2)C(O)=O)C(Nc2cccc(c2)SC)=S)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.9854 |
| logD: | 2.0139 |
| logSw: | -4.4969 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.097 |
| InChI Key: | GJHMBMUEDGWQKX-UHFFFAOYSA-N |