2-bromo-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-methoxyphenyl 2-fluorobenzoate
Chemical Structure Depiction of
2-bromo-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-methoxyphenyl 2-fluorobenzoate
2-bromo-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-methoxyphenyl 2-fluorobenzoate
Compound characteristics
| Compound ID: | C482-0626 |
| Compound Name: | 2-bromo-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-methoxyphenyl 2-fluorobenzoate |
| Molecular Weight: | 500.28 |
| Molecular Formula: | C22 H15 Br F N3 O5 |
| Smiles: | Cc1cc(NC(C(=C/c2cc(c(c(c2)[Br])OC(c2ccccc2F)=O)OC)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.98 |
| logD: | 3.46 |
| logSw: | -6.11 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 182.41 |
| InChI Key: | VRXVFNGHVZJWEY-UHFFFAOYSA-N |