4-({[2,2,2-trichloro-1-(2,4-dichlorobenzamido)ethyl]carbamothioyl}amino)benzoic acid
Chemical Structure Depiction of
4-({[2,2,2-trichloro-1-(2,4-dichlorobenzamido)ethyl]carbamothioyl}amino)benzoic acid
4-({[2,2,2-trichloro-1-(2,4-dichlorobenzamido)ethyl]carbamothioyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 1309-0777 |
| Compound Name: | 4-({[2,2,2-trichloro-1-(2,4-dichlorobenzamido)ethyl]carbamothioyl}amino)benzoic acid |
| Molecular Weight: | 515.63 |
| Molecular Formula: | C17 H12 Cl5 N3 O3 S |
| Smiles: | c1cc(ccc1C(O)=O)NC(NC(C([Cl])([Cl])[Cl])NC(c1ccc(cc1[Cl])[Cl])=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.492 |
| logD: | 2.9016 |
| logSw: | -5.7239 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 71.768 |
| InChI Key: | ZXPAIWYKLSAARG-HNNXBMFYSA-N |