ethyl 2-({[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1309-2214 |
| Compound Name: | ethyl 2-({[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 514.92 |
| Molecular Formula: | C19 H26 Cl3 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(NC(C([Cl])([Cl])[Cl])NC(C(C)(C)C)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0746 |
| logD: | 4.8396 |
| logSw: | -5.3352 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.1 |
| InChI Key: | MQSJVQXSCUXDOG-HNNXBMFYSA-N |