2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-ethoxyphenyl 4-methylbenzoate
Chemical Structure Depiction of
2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-ethoxyphenyl 4-methylbenzoate
2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-ethoxyphenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | C482-0631 |
| Compound Name: | 2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-ethoxyphenyl 4-methylbenzoate |
| Molecular Weight: | 465.89 |
| Molecular Formula: | C24 H20 Cl N3 O5 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc(c1OC(c1ccc(C)cc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.89 |
| logD: | 4.37 |
| logSw: | -6.82 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 182.03 |
| InChI Key: | DBTZHEJQFQZTAY-UHFFFAOYSA-N |