N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C679-1081 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide |
| Molecular Weight: | 541.61 |
| Molecular Formula: | C26 H19 N7 O3 S2 |
| Smiles: | CC1=NN2C(=NC(COc3ccc(/C=C(/C#N)C(Nc4nnc(Cc5ccccc5)s4)=O)cc3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.34 |
| logD: | 3.04 |
| logSw: | -5.53 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 250.21 |
| InChI Key: | WKXABNCVGGIJRK-UHFFFAOYSA-N |