4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-ethoxyphenyl 4-methylbenzoate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-ethoxyphenyl 4-methylbenzoate
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-ethoxyphenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | C482-0587 |
| Compound Name: | 4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-ethoxyphenyl 4-methylbenzoate |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C24 H21 N3 O5 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)ccc1OC(c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.72 |
| logD: | 3.2 |
| logSw: | -5.33 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 186.33 |
| InChI Key: | PIPIMYANDCEEFF-UHFFFAOYSA-N |