ethyl 2-[2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4-ethyl-5-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4-ethyl-5-methylthiophene-3-carboxylate
ethyl 2-[2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4-ethyl-5-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-3802 |
| Compound Name: | ethyl 2-[2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4-ethyl-5-methylthiophene-3-carboxylate |
| Molecular Weight: | 414.87 |
| Molecular Formula: | C16 H19 Cl N4 O5 S |
| Smiles: | CCc1c(C(=O)OCC)c(NC(Cn2c(C)c(c(n2)[N+]([O-])=O)[Cl])=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 3.2804 |
| logD: | 0.9133 |
| logSw: | -4.4392 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.955 |
| InChI Key: | LSIUTKVTTHJWNR-UHFFFAOYSA-N |