3-{3-chloro-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-chloro-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C679-0706 |
| Compound Name: | 3-{3-chloro-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 499.96 |
| Molecular Formula: | C20 H14 Cl N7 O3 S2 |
| Smiles: | CC1=NN2C(=NC(COc3ccc(/C=C(/C#N)C(Nc4nnc(C)s4)=O)cc3[Cl])=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.09 |
| logD: | 1.14 |
| logSw: | -3.92 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 251.83 |
| InChI Key: | YLXQVNCVFUESEG-UHFFFAOYSA-N |