4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 2-chlorobenzoate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 2-chlorobenzoate
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 2-chlorobenzoate
Compound characteristics
| Compound ID: | C482-0581 |
| Compound Name: | 4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 2-chlorobenzoate |
| Molecular Weight: | 437.84 |
| Molecular Formula: | C22 H16 Cl N3 O5 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(c(c2)OC)OC(c2ccccc2[Cl])=O)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.88 |
| logD: | 3.37 |
| logSw: | -5.73 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 190.16 |
| InChI Key: | PJAOBJSSFJSCKS-UHFFFAOYSA-N |