4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-ethoxyphenyl 3-methoxybenzoate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-ethoxyphenyl 3-methoxybenzoate
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-ethoxyphenyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | C482-0589 |
| Compound Name: | 4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-ethoxyphenyl 3-methoxybenzoate |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C24 H21 N3 O6 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)ccc1OC(c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.24 |
| logD: | 2.72 |
| logSw: | -5.2 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 206.27 |
| InChI Key: | DBAXDZBNFLEAFC-UHFFFAOYSA-N |