4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)phenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)phenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)phenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8008-7170 |
| Compound Name: | 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)phenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 404.22 |
| Molecular Formula: | C17 H14 Br N3 O4 |
| Smiles: | CCOC(C(=C\c1ccc(cc1)OC(c1c(cn(C)n1)[Br])=O)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7748 |
| logD: | 2.7748 |
| logSw: | -2.9269 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.782 |
| InChI Key: | UARODMAYOBHXKW-UHFFFAOYSA-N |