2-cyano-N~1~-(5-methyl-3-isoxazolyl)-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-methyl-3-isoxazolyl)-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-methyl-3-isoxazolyl)-3-{4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C679-1681 |
| Compound Name: | 2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide |
| Molecular Weight: | 448.46 |
| Molecular Formula: | C21 H16 N6 O4 S |
| Smiles: | CC1=NN2C(=NC(COc3ccc(/C=C(/C#N)C(Nc4cc(C)on4)=O)cc3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.17 |
| logD: | 1.65 |
| logSw: | -4.02 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 263.39 |
| InChI Key: | RMSHPLORECJEEF-UHFFFAOYSA-N |