diethyl 3-methyl-5-[2-(2-nitrophenoxy)acetamido]thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-[2-(2-nitrophenoxy)acetamido]thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-[2-(2-nitrophenoxy)acetamido]thiophene-2,4-dicarboxylate
Compound characteristics
Compound ID: | 2279-1371 |
Compound Name: | diethyl 3-methyl-5-[2-(2-nitrophenoxy)acetamido]thiophene-2,4-dicarboxylate |
Molecular Weight: | 436.44 |
Molecular Formula: | C19 H20 N2 O8 S |
Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(COc1ccccc1[N+]([O-])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3217 |
logD: | 1.3171 |
logSw: | -3.8461 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 105.084 |
InChI Key: | PQHMFLKEVPPODJ-UHFFFAOYSA-N |