ethyl 5-acetyl-4-methyl-2-(3-nitrobenzamido)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-4-methyl-2-(3-nitrobenzamido)thiophene-3-carboxylate
ethyl 5-acetyl-4-methyl-2-(3-nitrobenzamido)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8001-4082 |
| Compound Name: | ethyl 5-acetyl-4-methyl-2-(3-nitrobenzamido)thiophene-3-carboxylate |
| Molecular Weight: | 376.39 |
| Molecular Formula: | C17 H16 N2 O6 S |
| Smiles: | CCOC(c1c(C)c(C(C)=O)sc1NC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9505 |
| logD: | -2.3738 |
| logSw: | -3.4347 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.086 |
| InChI Key: | HIKQQWHPBXTMHY-UHFFFAOYSA-N |