diethyl 3-methyl-5-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K061-0141 |
| Compound Name: | diethyl 3-methyl-5-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]thiophene-2,4-dicarboxylate |
| Molecular Weight: | 411.39 |
| Molecular Formula: | C15 H17 N5 O7 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(Cn1cnc(n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8831 |
| logD: | -0.0586 |
| logSw: | -2.583 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.086 |
| InChI Key: | ZZENFIGEOLJUPF-UHFFFAOYSA-N |