4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl benzoate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl benzoate
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl benzoate
Compound characteristics
| Compound ID: | C482-0573 |
| Compound Name: | 4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl benzoate |
| Molecular Weight: | 403.39 |
| Molecular Formula: | C22 H17 N3 O5 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(c(c2)OC)OC(c2ccccc2)=O)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.05 |
| logD: | 2.53 |
| logSw: | -5 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 193.44 |
| InChI Key: | SGMBOJRSLIAQOH-UHFFFAOYSA-N |