2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
					Chemical Structure Depiction of
2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
			2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C679-1022 | 
| Compound Name: | 2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide | 
| Molecular Weight: | 525.63 | 
| Molecular Formula: | C22 H19 N7 O3 S3 | 
| Smiles: | CCC1=NN2C(=NC(COc3ccc(/C=C(/C#N)C(Nc4nc(ns4)SCC)=O)cc3)=CC2=O)S1 | 
| Stereo: | ACHIRAL | 
| logP: | 4.36 | 
| logD: | 4.36 | 
| logSw: | -5.25 | 
| Hydrogen bond acceptors count: | 12 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 277.08 | 
| InChI Key: | BVYMQIYUTDCZEW-UHFFFAOYSA-N | 
 
				 
				