diethyl 3-methyl-5-(3-nitrobenzamido)thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-(3-nitrobenzamido)thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-(3-nitrobenzamido)thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 0988-0061 |
| Compound Name: | diethyl 3-methyl-5-(3-nitrobenzamido)thiophene-2,4-dicarboxylate |
| Molecular Weight: | 406.41 |
| Molecular Formula: | C18 H18 N2 O7 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5534 |
| logD: | -1.0408 |
| logSw: | -3.946 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.013 |
| InChI Key: | HIPWCVAWMRWHPC-UHFFFAOYSA-N |