2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-ethoxyphenyl 3-methoxybenzoate
Chemical Structure Depiction of
2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-ethoxyphenyl 3-methoxybenzoate
2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-ethoxyphenyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | C482-0633 |
| Compound Name: | 2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-ethoxyphenyl 3-methoxybenzoate |
| Molecular Weight: | 481.89 |
| Molecular Formula: | C24 H20 Cl N3 O6 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc(c1OC(c1cccc(c1)OC)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.41 |
| logD: | 3.89 |
| logSw: | -6.42 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 201.96 |
| InChI Key: | NHJRAFAPWWVANA-UHFFFAOYSA-N |