ethyl 5-acetyl-2-[4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-2-[4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4-methylthiophene-3-carboxylate
ethyl 5-acetyl-2-[4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | C163-0045 |
| Compound Name: | ethyl 5-acetyl-2-[4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 456.9 |
| Molecular Formula: | C18 H21 Cl N4 O6 S |
| Smiles: | CCOC(c1c(C)c(C(C)=O)sc1NC(CCCn1c(C)c(c(n1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8456 |
| logD: | -1.5027 |
| logSw: | -3.4194 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.76 |
| InChI Key: | GVGSEUHDNGVTAY-UHFFFAOYSA-N |