ethyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C163-0286 |
| Compound Name: | ethyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C20 H26 N4 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CCCn1c(C)c(c(C)n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5223 |
| logD: | -0.2751 |
| logSw: | -2.6099 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.896 |
| InChI Key: | JWAWEOKEGZOOIO-UHFFFAOYSA-N |