methyl 2-({[2,2,2-trichloro-1-(2,2-diphenylacetamido)ethyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({[2,2,2-trichloro-1-(2,2-diphenylacetamido)ethyl]carbamothioyl}amino)benzoate
methyl 2-({[2,2,2-trichloro-1-(2,2-diphenylacetamido)ethyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | 0502-0031 |
| Compound Name: | methyl 2-({[2,2,2-trichloro-1-(2,2-diphenylacetamido)ethyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 550.89 |
| Molecular Formula: | C25 H22 Cl3 N3 O3 S |
| Smiles: | COC(c1ccccc1NC(NC(C([Cl])([Cl])[Cl])NC(C(c1ccccc1)c1ccccc1)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8608 |
| logD: | 5.0819 |
| logSw: | -6.2188 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.564 |
| InChI Key: | BVYPBGFLNICZDJ-QHCPKHFHSA-N |