4-bromo-N-[2-cyano-3-(2,4-dichlorophenyl)prop-2-enoyl]-1H-pyrazole-1-carboxamide
Chemical Structure Depiction of
4-bromo-N-[2-cyano-3-(2,4-dichlorophenyl)prop-2-enoyl]-1H-pyrazole-1-carboxamide
4-bromo-N-[2-cyano-3-(2,4-dichlorophenyl)prop-2-enoyl]-1H-pyrazole-1-carboxamide
Compound characteristics
| Compound ID: | Y508-2672 |
| Compound Name: | 4-bromo-N-[2-cyano-3-(2,4-dichlorophenyl)prop-2-enoyl]-1H-pyrazole-1-carboxamide |
| Molecular Weight: | 414.04 |
| Molecular Formula: | C14 H7 Br Cl2 N4 O2 |
| Smiles: | C(=C(/C#N)C(NC(n1cc(cn1)[Br])=O)=O)/c1ccc(cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7286 |
| logD: | 0.1621 |
| logSw: | -4.2319 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.848 |
| InChI Key: | BVNWCKHXQYBKFQ-UHFFFAOYSA-N |