4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 4-fluorobenzoate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 4-fluorobenzoate
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 4-fluorobenzoate
Compound characteristics
| Compound ID: | C482-0564 |
| Compound Name: | 4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 4-fluorobenzoate |
| Molecular Weight: | 391.36 |
| Molecular Formula: | C21 H14 F N3 O4 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(cc2)OC(c2ccc(cc2)F)=O)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.22 |
| logD: | 2.7 |
| logSw: | -5.56 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 185.62 |
| InChI Key: | OXZFOTYQKQZCEM-UHFFFAOYSA-N |