ethyl 4,5-dimethyl-2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4,5-dimethyl-2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]thiophene-3-carboxylate
ethyl 4,5-dimethyl-2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0398 |
| Compound Name: | ethyl 4,5-dimethyl-2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]thiophene-3-carboxylate |
| Molecular Weight: | 366.39 |
| Molecular Formula: | C15 H18 N4 O5 S |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(Cn1c(C)cc(n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0749 |
| logD: | -0.3127 |
| logSw: | -2.7434 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.71 |
| InChI Key: | ACEJDFDKPLXIRT-UHFFFAOYSA-N |