4-({[2,2,2-trichloro-1-(3-chlorobenzamido)ethyl]carbamothioyl}amino)benzoic acid
Chemical Structure Depiction of
4-({[2,2,2-trichloro-1-(3-chlorobenzamido)ethyl]carbamothioyl}amino)benzoic acid
4-({[2,2,2-trichloro-1-(3-chlorobenzamido)ethyl]carbamothioyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 0687-1354 |
| Compound Name: | 4-({[2,2,2-trichloro-1-(3-chlorobenzamido)ethyl]carbamothioyl}amino)benzoic acid |
| Molecular Weight: | 481.18 |
| Molecular Formula: | C17 H13 Cl4 N3 O3 S |
| Smiles: | c1cc(cc(c1)[Cl])C(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1)C(O)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6711 |
| logD: | 2.2758 |
| logSw: | -4.587 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 71.768 |
| InChI Key: | YDELQAYVLLBVFC-HNNXBMFYSA-N |