dimethyl 3-methyl-5-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 3-methyl-5-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]thiophene-2,4-dicarboxylate
dimethyl 3-methyl-5-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]thiophene-2,4-dicarboxylate
Compound characteristics
Compound ID: | C163-0163 |
Compound Name: | dimethyl 3-methyl-5-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]thiophene-2,4-dicarboxylate |
Molecular Weight: | 424.43 |
Molecular Formula: | C17 H20 N4 O7 S |
Smiles: | Cc1c(C(=O)OC)c(NC(CCCn2c(C)cc(n2)[N+]([O-])=O)=O)sc1C(=O)OC |
Stereo: | ACHIRAL |
logP: | 0.9292 |
logD: | -1.69 |
logSw: | -2.3389 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 112.282 |
InChI Key: | SVARCIYNSXXTSW-UHFFFAOYSA-N |