4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 3-methylbenzoate
					Chemical Structure Depiction of
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 3-methylbenzoate
			4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 3-methylbenzoate
Compound characteristics
| Compound ID: | C482-0559 | 
| Compound Name: | 4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 3-methylbenzoate | 
| Molecular Weight: | 387.39 | 
| Molecular Formula: | C22 H17 N3 O4 | 
| Smiles: | Cc1cccc(c1)C(=O)Oc1ccc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc1 | 
| Stereo: | ACHIRAL | 
| logP: | 4.44 | 
| logD: | 2.92 | 
| logSw: | -5.71 | 
| Hydrogen bond acceptors count: | 8 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 182.29 | 
| InChI Key: | PDCUTJHEDXRHDG-UHFFFAOYSA-N | 
 
				 
				