ethyl 4,5-dimethyl-2-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4,5-dimethyl-2-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]thiophene-3-carboxylate
ethyl 4,5-dimethyl-2-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0838 |
| Compound Name: | ethyl 4,5-dimethyl-2-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]thiophene-3-carboxylate |
| Molecular Weight: | 352.37 |
| Molecular Formula: | C14 H16 N4 O5 S |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(Cn1cc(cn1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1762 |
| logD: | -0.0356 |
| logSw: | -2.5459 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.823 |
| InChI Key: | DPHLKMVIOOVSQC-UHFFFAOYSA-N |