4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl acetate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl acetate
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl acetate
Compound characteristics
| Compound ID: | C482-0158 |
| Compound Name: | 4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl acetate |
| Molecular Weight: | 311.29 |
| Molecular Formula: | C16 H13 N3 O4 |
| Smiles: | CC(=O)Oc1ccc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.57 |
| logD: | 1.05 |
| logSw: | -3.71 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 193.42 |
| InChI Key: | BSHPELQDBFZRRU-UHFFFAOYSA-N |