4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 3-methoxybenzoate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 3-methoxybenzoate
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | C482-0562 |
| Compound Name: | 4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 3-methoxybenzoate |
| Molecular Weight: | 403.39 |
| Molecular Formula: | C22 H17 N3 O5 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(cc2)OC(c2cccc(c2)OC)=O)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.13 |
| logD: | 2.61 |
| logSw: | -5.27 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 205.02 |
| InChI Key: | AGTIXJUTXHKOSE-UHFFFAOYSA-N |