diethyl 3-methyl-5-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | C163-0159 |
| Compound Name: | diethyl 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: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CCCn1c(C)cc(n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7312 |
| logD: | -0.888 |
| logSw: | -2.6262 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.442 |
| InChI Key: | OSNWMNWPKJCIJV-UHFFFAOYSA-N |