methyl 2-({[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]carbamothioyl}amino)benzoate
methyl 2-({[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | 1501-0129 |
| Compound Name: | methyl 2-({[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 440.77 |
| Molecular Formula: | C16 H20 Cl3 N3 O3 S |
| Smiles: | CC(C)(C)C(NC(C([Cl])([Cl])[Cl])NC(Nc1ccccc1C(=O)OC)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.857 |
| logD: | 3.6786 |
| logSw: | -4.3522 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.107 |
| InChI Key: | GILBFFGEKJRDCL-LBPRGKRZSA-N |