ethyl 5-acetyl-4-methyl-2-[4-(4-nitro-1H-pyrazol-1-yl)butanamido]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-4-methyl-2-[4-(4-nitro-1H-pyrazol-1-yl)butanamido]thiophene-3-carboxylate
ethyl 5-acetyl-4-methyl-2-[4-(4-nitro-1H-pyrazol-1-yl)butanamido]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8015-6311 |
| Compound Name: | ethyl 5-acetyl-4-methyl-2-[4-(4-nitro-1H-pyrazol-1-yl)butanamido]thiophene-3-carboxylate |
| Molecular Weight: | 408.43 |
| Molecular Formula: | C17 H20 N4 O6 S |
| Smiles: | CCOC(c1c(C)c(C(C)=O)sc1NC(CCCn1cc(cn1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0458 |
| logD: | -2.3026 |
| logSw: | -2.1855 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.628 |
| InChI Key: | JZUGJAODCFFTGC-UHFFFAOYSA-N |