methyl 4-({[2,2,2-trichloro-1-(2-methylbenzamido)ethyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({[2,2,2-trichloro-1-(2-methylbenzamido)ethyl]carbamothioyl}amino)benzoate
methyl 4-({[2,2,2-trichloro-1-(2-methylbenzamido)ethyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | 0318-0149 |
| Compound Name: | methyl 4-({[2,2,2-trichloro-1-(2-methylbenzamido)ethyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 474.79 |
| Molecular Formula: | C19 H18 Cl3 N3 O3 S |
| Smiles: | Cc1ccccc1C(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1)C(=O)OC)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.778 |
| logD: | 3.5053 |
| logSw: | -4.8985 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.534 |
| InChI Key: | ROMQEHDRJKGQKW-KRWDZBQOSA-N |