2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-{4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-{4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide
2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-{4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C679-1045 |
| Compound Name: | 2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-{4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C22 H19 N7 O3 S2 |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2ccc(cc2)OCC2=CC(N3C(=N2)SC(C)=N3)=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.71 |
| logD: | 1.8 |
| logSw: | -5 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 252.27 |
| InChI Key: | YIJQGHVXIPQCIX-UHFFFAOYSA-N |