ethyl 5-acetyl-4-methyl-2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-4-methyl-2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]thiophene-3-carboxylate
ethyl 5-acetyl-4-methyl-2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | C163-0158 |
| Compound Name: | ethyl 5-acetyl-4-methyl-2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]thiophene-3-carboxylate |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C18 H22 N4 O6 S |
| Smiles: | CCOC(c1c(C)c(C(C)=O)sc1NC(CCCn1c(C)cc(n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1282 |
| logD: | -2.2201 |
| logSw: | -2.3937 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.515 |
| InChI Key: | MJKWLUKOKJTSDZ-UHFFFAOYSA-N |