diethyl 3-methyl-5-(4-methyl-3-nitrobenzamido)thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-(4-methyl-3-nitrobenzamido)thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-(4-methyl-3-nitrobenzamido)thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 3057-0974 |
| Compound Name: | diethyl 3-methyl-5-(4-methyl-3-nitrobenzamido)thiophene-2,4-dicarboxylate |
| Molecular Weight: | 420.44 |
| Molecular Formula: | C19 H20 N2 O7 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(c1ccc(C)c(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9557 |
| logD: | -0.7388 |
| logSw: | -4.3093 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.712 |
| InChI Key: | MFSIPHZSVUCPFC-UHFFFAOYSA-N |