ethyl 2-(4-methoxy-3-nitrobenzamido)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-methoxy-3-nitrobenzamido)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(4-methoxy-3-nitrobenzamido)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y508-0902 |
| Compound Name: | ethyl 2-(4-methoxy-3-nitrobenzamido)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C24 H30 N2 O6 S |
| Smiles: | CCC(C)(C)C1CCc2c(C(=O)OCC)c(NC(c3ccc(c(c3)[N+]([O-])=O)OC)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1039 |
| logD: | 0.635 |
| logSw: | -5.0687 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.509 |
| InChI Key: | VQDCRXZRCLCUDL-OAHLLOKOSA-N |