ethyl 2-{[2,2,2-trichloro-1-(2-phenylacetamido)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2,2,2-trichloro-1-(2-phenylacetamido)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[2,2,2-trichloro-1-(2-phenylacetamido)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1501-0723 |
| Compound Name: | ethyl 2-{[2,2,2-trichloro-1-(2-phenylacetamido)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 489.85 |
| Molecular Formula: | C21 H23 Cl3 N2 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C([Cl])([Cl])[Cl])NC(Cc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1738 |
| logD: | 4.956 |
| logSw: | -5.6778 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.705 |
| InChI Key: | ZRQBFUPGNQWFPD-FQEVSTJZSA-N |