4-({[2,2,2-trichloro-1-(2-methylpropanamido)ethyl]carbamothioyl}amino)benzoic acid
Chemical Structure Depiction of
4-({[2,2,2-trichloro-1-(2-methylpropanamido)ethyl]carbamothioyl}amino)benzoic acid
4-({[2,2,2-trichloro-1-(2-methylpropanamido)ethyl]carbamothioyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 1491-0054 |
| Compound Name: | 4-({[2,2,2-trichloro-1-(2-methylpropanamido)ethyl]carbamothioyl}amino)benzoic acid |
| Molecular Weight: | 412.72 |
| Molecular Formula: | C14 H16 Cl3 N3 O3 S |
| Smiles: | CC(C)C(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1)C(O)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4987 |
| logD: | 1.1035 |
| logSw: | -3.8202 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 72.039 |
| InChI Key: | PPTQMIQRBWOHHQ-LBPRGKRZSA-N |