ethyl 2-(2-methyl-3-nitrobenzamido)-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-methyl-3-nitrobenzamido)-1-benzothiophene-3-carboxylate
ethyl 2-(2-methyl-3-nitrobenzamido)-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | F066-0520 |
| Compound Name: | ethyl 2-(2-methyl-3-nitrobenzamido)-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 384.41 |
| Molecular Formula: | C19 H16 N2 O5 S |
| Smiles: | CCOC(c1c2ccccc2sc1NC(c1cccc(c1C)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3522 |
| logD: | 2.1688 |
| logSw: | -4.569 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.687 |
| InChI Key: | IHMDVYAAVRUWGD-UHFFFAOYSA-N |