diethyl 5-(3,5-dinitrobenzamido)-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-(3,5-dinitrobenzamido)-3-methylthiophene-2,4-dicarboxylate
diethyl 5-(3,5-dinitrobenzamido)-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 1313-0511 |
| Compound Name: | diethyl 5-(3,5-dinitrobenzamido)-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 451.41 |
| Molecular Formula: | C18 H17 N3 O9 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5721 |
| logD: | -2.1601 |
| logSw: | -3.9985 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 131.394 |
| InChI Key: | CJMKTTHKDBKFDC-UHFFFAOYSA-N |