4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 2-furoate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 2-furoate
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 2-furoate
Compound characteristics
| Compound ID: | C482-0568 |
| Compound Name: | 4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 2-furoate |
| Molecular Weight: | 363.33 |
| Molecular Formula: | C19 H13 N3 O5 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(cc2)OC(c2ccco2)=O)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.31 |
| logD: | 1.79 |
| logSw: | -3.92 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 196.55 |
| InChI Key: | HGEXOUUQIXAQHR-UHFFFAOYSA-N |