methyl 4,5-dimethyl-2-(2-methyl-3-nitrobenzamido)thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 4,5-dimethyl-2-(2-methyl-3-nitrobenzamido)thiophene-3-carboxylate
methyl 4,5-dimethyl-2-(2-methyl-3-nitrobenzamido)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3772-8110 |
| Compound Name: | methyl 4,5-dimethyl-2-(2-methyl-3-nitrobenzamido)thiophene-3-carboxylate |
| Molecular Weight: | 348.38 |
| Molecular Formula: | C16 H16 N2 O5 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(Nc1c(C(=O)OC)c(C)c(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5404 |
| logD: | -1.8121 |
| logSw: | -4.1166 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.378 |
| InChI Key: | QHIUERJMXWOWCG-UHFFFAOYSA-N |