4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 3-methylbenzoate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 3-methylbenzoate
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 3-methylbenzoate
Compound characteristics
| Compound ID: | C482-0574 |
| Compound Name: | 4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 3-methylbenzoate |
| Molecular Weight: | 417.42 |
| Molecular Formula: | C23 H19 N3 O5 |
| Smiles: | Cc1cccc(c1)C(=O)Oc1ccc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.4 |
| logD: | 2.88 |
| logSw: | -5.22 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 191.31 |
| InChI Key: | WQYBVFFHPCMNAO-UHFFFAOYSA-N |