2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 4-methylbenzoate
Chemical Structure Depiction of
2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 4-methylbenzoate
2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | C482-0668 |
| Compound Name: | 2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 4-methylbenzoate |
| Molecular Weight: | 421.84 |
| Molecular Formula: | C22 H16 Cl N3 O4 |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1ccc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.16 |
| logD: | 3.64 |
| logSw: | -6.28 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 173.43 |
| InChI Key: | MXANAQVMNZCCCT-UHFFFAOYSA-N |