2-bromo-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-ethoxyphenyl 4-methoxybenzoate
Chemical Structure Depiction of
2-bromo-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-ethoxyphenyl 4-methoxybenzoate
2-bromo-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-ethoxyphenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | C482-0648 |
| Compound Name: | 2-bromo-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-ethoxyphenyl 4-methoxybenzoate |
| Molecular Weight: | 526.34 |
| Molecular Formula: | C24 H20 Br N3 O6 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc(c1OC(c1ccc(cc1)OC)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.09 |
| logD: | 3.57 |
| logSw: | -6.35 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 196.03 |
| InChI Key: | IEARUMOYQGCZKY-UHFFFAOYSA-N |