ethyl 5-acetyl-2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-4-methylthiophene-3-carboxylate
ethyl 5-acetyl-2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | C163-0271 |
| Compound Name: | ethyl 5-acetyl-2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C19 H24 N4 O6 S |
| Smiles: | CCOC(c1c(C)c(C(C)=O)sc1NC(CCCn1c(C)c(c(C)n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3874 |
| logD: | -1.961 |
| logSw: | -1.9391 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.802 |
| InChI Key: | XOZOBSZFPKORDN-UHFFFAOYSA-N |