4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-ethoxyphenyl 2-furoate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-ethoxyphenyl 2-furoate
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-ethoxyphenyl 2-furoate
Compound characteristics
| Compound ID: | C482-0595 |
| Compound Name: | 4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-ethoxyphenyl 2-furoate |
| Molecular Weight: | 407.38 |
| Molecular Formula: | C21 H17 N3 O6 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)ccc1OC(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.42 |
| logD: | 1.9 |
| logSw: | -4.11 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 197.8 |
| InChI Key: | RGVDWNUYPSVPCQ-UHFFFAOYSA-N |