3-({[2,2,2-trichloro-1-(3-iodobenzamido)ethyl]carbamothioyl}amino)benzoic acid
Chemical Structure Depiction of
3-({[2,2,2-trichloro-1-(3-iodobenzamido)ethyl]carbamothioyl}amino)benzoic acid
3-({[2,2,2-trichloro-1-(3-iodobenzamido)ethyl]carbamothioyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 0602-0125 |
| Compound Name: | 3-({[2,2,2-trichloro-1-(3-iodobenzamido)ethyl]carbamothioyl}amino)benzoic acid |
| Molecular Weight: | 572.63 |
| Molecular Formula: | C17 H13 Cl3 I N3 O3 S |
| Smiles: | c1cc(cc(c1)NC(NC(C([Cl])([Cl])[Cl])NC(c1cccc(c1)I)=O)=S)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3954 |
| logD: | 2.5096 |
| logSw: | -5.747 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 71.768 |
| InChI Key: | HUGMQXRZXJXRAB-HNNXBMFYSA-N |