methyl [(3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)sulfanyl]acetate
					Chemical Structure Depiction of
methyl [(3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)sulfanyl]acetate
			methyl [(3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 3331-3807 | 
| Compound Name: | methyl [(3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)sulfanyl]acetate | 
| Molecular Weight: | 302.35 | 
| Molecular Formula: | C15 H14 N2 O3 S | 
| Smiles: | COC(CSC1=C(C#N)C(CC(N1)=O)c1ccccc1)=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 1.5275 | 
| logD: | 1.4721 | 
| logSw: | -2.2358 | 
| Hydrogen bond acceptors count: | 7 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 61.766 | 
| InChI Key: | XXQWUCAXZIAJPE-LLVKDONJSA-N | 
 
				 
				