diethyl 3-methyl-5-[2-(4-nitro-1H-pyrazol-1-yl)propanamido]thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-[2-(4-nitro-1H-pyrazol-1-yl)propanamido]thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-[2-(4-nitro-1H-pyrazol-1-yl)propanamido]thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 8015-6777 |
| Compound Name: | diethyl 3-methyl-5-[2-(4-nitro-1H-pyrazol-1-yl)propanamido]thiophene-2,4-dicarboxylate |
| Molecular Weight: | 424.43 |
| Molecular Formula: | C17 H20 N4 O7 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(C(C)n1cc(cn1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1304 |
| logD: | -0.1134 |
| logSw: | -2.5904 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.594 |
| InChI Key: | IPEDDCHIUVNODL-JTQLQIEISA-N |