4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)phenyl 1-methyl-4-nitro-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)phenyl 1-methyl-4-nitro-1H-pyrazole-3-carboxylate
4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)phenyl 1-methyl-4-nitro-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8008-6528 |
| Compound Name: | 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)phenyl 1-methyl-4-nitro-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 370.32 |
| Molecular Formula: | C17 H14 N4 O6 |
| Smiles: | CCOC(C(=C\c1ccc(cc1)OC(c1c(cn(C)n1)[N+]([O-])=O)=O)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.031 |
| logD: | 2.031 |
| logSw: | -2.2322 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 106.862 |
| InChI Key: | HCJMHTAAGAGWCC-UHFFFAOYSA-N |