4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-ethoxyphenyl 3,4-dimethoxybenzoate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-ethoxyphenyl 3,4-dimethoxybenzoate
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-ethoxyphenyl 3,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | C482-0599 |
| Compound Name: | 4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-ethoxyphenyl 3,4-dimethoxybenzoate |
| Molecular Weight: | 477.47 |
| Molecular Formula: | C25 H23 N3 O7 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)ccc1OC(c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8 |
| logD: | 2.28 |
| logSw: | -4.8 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 213.75 |
| InChI Key: | FTFCRVXONLZHHF-UHFFFAOYSA-N |