diethyl 5-[4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | C163-0046 |
| Compound Name: | diethyl 5-[4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 486.93 |
| Molecular Formula: | C19 H23 Cl N4 O7 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CCCn1c(C)c(c(n1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4486 |
| logD: | -0.1706 |
| logSw: | -3.8871 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.687 |
| InChI Key: | JCODPYNGHIBPGX-UHFFFAOYSA-N |