ethyl 3-(5-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-furyl)benzoate
Chemical Structure Depiction of
ethyl 3-(5-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-furyl)benzoate
ethyl 3-(5-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-furyl)benzoate
Compound characteristics
| Compound ID: | C482-0885 |
| Compound Name: | ethyl 3-(5-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-furyl)benzoate |
| Molecular Weight: | 391.38 |
| Molecular Formula: | C21 H17 N3 O5 |
| Smiles: | CCOC(c1cccc(c1)c1ccc(/C=C(/C#N)C(Nc2cc(C)on2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.73 |
| logD: | 3.19 |
| logSw: | -5.27 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 190.66 |
| InChI Key: | LFLVEFQITHYQRK-UHFFFAOYSA-N |