2-methyl 4-propyl 3-methyl-5-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
2-methyl 4-propyl 3-methyl-5-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]thiophene-2,4-dicarboxylate
2-methyl 4-propyl 3-methyl-5-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | C163-0164 |
| Compound Name: | 2-methyl 4-propyl 3-methyl-5-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]thiophene-2,4-dicarboxylate |
| Molecular Weight: | 452.48 |
| Molecular Formula: | C19 H24 N4 O7 S |
| Smiles: | CCCOC(c1c(C)c(C(=O)OC)sc1NC(CCCn1c(C)cc(n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8233 |
| logD: | -0.7959 |
| logSw: | -2.6547 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.156 |
| InChI Key: | XDFXIPPYXANAOL-UHFFFAOYSA-N |