2-cyano-3-{3-ethoxy-4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-{3-ethoxy-4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C679-1688 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 506.54 |
| Molecular Formula: | C24 H22 N6 O5 S |
| Smiles: | CCC1=NN2C(=NC(COc3ccc(/C=C(/C#N)C(Nc4cc(C)on4)=O)cc3OCC)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.41 |
| logD: | 3.41 |
| logSw: | -4.35 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 261.67 |
| InChI Key: | IXQOOYSSHHJYSB-UHFFFAOYSA-N |