2-bromo-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-ethoxyphenyl benzoate
Chemical Structure Depiction of
2-bromo-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-ethoxyphenyl benzoate
2-bromo-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-ethoxyphenyl benzoate
Compound characteristics
| Compound ID: | C482-0644 |
| Compound Name: | 2-bromo-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-ethoxyphenyl benzoate |
| Molecular Weight: | 496.32 |
| Molecular Formula: | C23 H18 Br N3 O5 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc(c1OC(c1ccccc1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5 |
| logD: | 3.48 |
| logSw: | -5.98 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 181.2 |
| InChI Key: | QUDQWFONSKNRAW-UHFFFAOYSA-N |