ethyl 2-{[1-(4-tert-butylbenzamido)-2,2,2-trichloroethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[1-(4-tert-butylbenzamido)-2,2,2-trichloroethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[1-(4-tert-butylbenzamido)-2,2,2-trichloroethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1503-0780 |
| Compound Name: | ethyl 2-{[1-(4-tert-butylbenzamido)-2,2,2-trichloroethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 531.93 |
| Molecular Formula: | C24 H29 Cl3 N2 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C([Cl])([Cl])[Cl])NC(c1ccc(cc1)C(C)(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0779 |
| logD: | 6.5246 |
| logSw: | -6.5559 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.918 |
| InChI Key: | XZVIKQYPUZZSHW-QFIPXVFZSA-N |