2-({[2,2,2-trichloro-1-(2-phenylacetamido)ethyl]carbamothioyl}amino)benzoic acid
Chemical Structure Depiction of
2-({[2,2,2-trichloro-1-(2-phenylacetamido)ethyl]carbamothioyl}amino)benzoic acid
2-({[2,2,2-trichloro-1-(2-phenylacetamido)ethyl]carbamothioyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 1501-0096 |
| Compound Name: | 2-({[2,2,2-trichloro-1-(2-phenylacetamido)ethyl]carbamothioyl}amino)benzoic acid |
| Molecular Weight: | 460.76 |
| Molecular Formula: | C18 H16 Cl3 N3 O3 S |
| Smiles: | C(C(NC(C([Cl])([Cl])[Cl])NC(Nc1ccccc1C(O)=O)=S)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2783 |
| logD: | 1.0593 |
| logSw: | -4.4078 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 70.857 |
| InChI Key: | QXWJJZYDFRPTLC-INIZCTEOSA-N |