ethyl 4-phenyl-2-({[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]carbamothioyl}amino)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4-phenyl-2-({[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]carbamothioyl}amino)thiophene-3-carboxylate
ethyl 4-phenyl-2-({[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]carbamothioyl}amino)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1501-0726 |
| Compound Name: | ethyl 4-phenyl-2-({[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]carbamothioyl}amino)thiophene-3-carboxylate |
| Molecular Weight: | 536.93 |
| Molecular Formula: | C21 H24 Cl3 N3 O3 S2 |
| Smiles: | CCOC(c1c(csc1NC(NC(C([Cl])([Cl])[Cl])NC(C(C)(C)C)=O)=S)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4966 |
| logD: | 5.3993 |
| logSw: | -6.0209 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.908 |
| InChI Key: | XWOKCYDRCHRJNV-KRWDZBQOSA-N |