ethyl 6-ethyl-2-[2-(3-methyl-4-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-ethyl-2-[2-(3-methyl-4-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-ethyl-2-[2-(3-methyl-4-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3772-4015 |
| Compound Name: | ethyl 6-ethyl-2-[2-(3-methyl-4-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C22 H26 N2 O6 S |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(COc3ccc(c(C)c3)[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5951 |
| logD: | 3.4133 |
| logSw: | -5.5598 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.165 |
| InChI Key: | DNFSGFIOAOGVKN-CQSZACIVSA-N |