methyl 2-({[2,2,2-trichloro-1-(2,4-dichlorobenzamido)ethyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({[2,2,2-trichloro-1-(2,4-dichlorobenzamido)ethyl]carbamothioyl}amino)benzoate
methyl 2-({[2,2,2-trichloro-1-(2,4-dichlorobenzamido)ethyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | 1501-0144 |
| Compound Name: | methyl 2-({[2,2,2-trichloro-1-(2,4-dichlorobenzamido)ethyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 529.65 |
| Molecular Formula: | C18 H14 Cl5 N3 O3 S |
| Smiles: | COC(c1ccccc1NC(NC(C([Cl])([Cl])[Cl])NC(c1ccc(cc1[Cl])[Cl])=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6096 |
| logD: | 3.0192 |
| logSw: | -6.0095 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.836 |
| InChI Key: | CHZALIPYAQBMQG-INIZCTEOSA-N |