4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 3,4-dimethoxybenzoate
					Chemical Structure Depiction of
4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 3,4-dimethoxybenzoate
			4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 3,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | C277-4734 | 
| Compound Name: | 4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 3,4-dimethoxybenzoate | 
| Molecular Weight: | 526.59 | 
| Molecular Formula: | C24 H22 N4 O6 S2 | 
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)ccc1OC(c1ccc(c(c1)OC)OC)=O | 
| Stereo: | ACHIRAL | 
| logP: | 4.23 | 
| logD: | 3.55 | 
| logSw: | -5.24 | 
| Hydrogen bond acceptors count: | 12 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 235.91 | 
| InChI Key: | CTIRXRVPHTXGCJ-UHFFFAOYSA-N | 
 
				 
				