2-({[2,2,2-trichloro-1-(3-chlorobenzamido)ethyl]carbamothioyl}amino)benzoic acid
Chemical Structure Depiction of
2-({[2,2,2-trichloro-1-(3-chlorobenzamido)ethyl]carbamothioyl}amino)benzoic acid
2-({[2,2,2-trichloro-1-(3-chlorobenzamido)ethyl]carbamothioyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 0687-1355 |
| Compound Name: | 2-({[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: | c1ccc(c(c1)C(O)=O)NC(NC(C([Cl])([Cl])[Cl])NC(c1cccc(c1)[Cl])=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0508 |
| logD: | 1.8318 |
| logSw: | -4.7216 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 71.07 |
| InChI Key: | RRJVYNCEWKIWAE-HNNXBMFYSA-N |