diethyl 5-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | C163-0272 |
| Compound Name: | diethyl 5-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 466.51 |
| Molecular Formula: | C20 H26 N4 O7 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CCCn1c(C)c(c(C)n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9903 |
| logD: | -0.6289 |
| logSw: | -2.4343 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.729 |
| InChI Key: | QHPOILGWAARPKX-UHFFFAOYSA-N |