2-cyano-3-{3-methoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
					Chemical Structure Depiction of
2-cyano-3-{3-methoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
			2-cyano-3-{3-methoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C679-0700 | 
| Compound Name: | 2-cyano-3-{3-methoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide | 
| Molecular Weight: | 495.54 | 
| Molecular Formula: | C21 H17 N7 O4 S2 | 
| Smiles: | CC1=NN2C(=NC(COc3ccc(/C=C(/C#N)C(Nc4nnc(C)s4)=O)cc3OC)=CC2=O)S1 | 
| Stereo: | ACHIRAL | 
| logP: | 2.28 | 
| logD: | 0.33 | 
| logSw: | -3.95 | 
| Hydrogen bond acceptors count: | 12 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 271.84 | 
| InChI Key: | LGTUKZRHRDAEEI-UHFFFAOYSA-N | 
 
				 
				