ethyl 2-(2,4-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2,4-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate
ethyl 2-(2,4-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 0988-0098 |
| Compound Name: | ethyl 2-(2,4-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 393.37 |
| Molecular Formula: | C16 H15 N3 O7 S |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4753 |
| logD: | -2.8219 |
| logSw: | -4.1522 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.34 |
| InChI Key: | BQUSAWMJNQLFLX-UHFFFAOYSA-N |