ethyl 2-[(1-acetamido-2,2,2-trichloroethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1-acetamido-2,2,2-trichloroethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(1-acetamido-2,2,2-trichloroethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1309-2294 |
| Compound Name: | ethyl 2-[(1-acetamido-2,2,2-trichloroethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 413.75 |
| Molecular Formula: | C15 H19 Cl3 N2 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C([Cl])([Cl])[Cl])NC(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7069 |
| logD: | 3.4891 |
| logSw: | -4.5714 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.089 |
| InChI Key: | CYXFEZPDYIDMJU-AWEZNQCLSA-N |