diethyl 5-(4-chloro-3-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-(4-chloro-3-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate
diethyl 5-(4-chloro-3-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 2159-0796 |
| Compound Name: | diethyl 5-(4-chloro-3-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 440.86 |
| Molecular Formula: | C18 H17 Cl N2 O7 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8226 |
| logD: | -1.711 |
| logSw: | -4.6903 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.712 |
| InChI Key: | COCADQJDEICNGW-UHFFFAOYSA-N |