methyl 2-({[2,2,2-trichloro-1-(3-chlorobenzamido)ethyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({[2,2,2-trichloro-1-(3-chlorobenzamido)ethyl]carbamothioyl}amino)benzoate
methyl 2-({[2,2,2-trichloro-1-(3-chlorobenzamido)ethyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | 1309-0557 |
| Compound Name: | methyl 2-({[2,2,2-trichloro-1-(3-chlorobenzamido)ethyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 495.21 |
| Molecular Formula: | C18 H15 Cl4 N3 O3 S |
| Smiles: | COC(c1ccccc1NC(NC(C([Cl])([Cl])[Cl])NC(c1cccc(c1)[Cl])=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7887 |
| logD: | 3.1692 |
| logSw: | -4.9204 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.836 |
| InChI Key: | HNEQJIQIVJKODL-INIZCTEOSA-N |