2-cyano-3-{3-ethoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N-(4-methylphenyl)prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N-(4-methylphenyl)prop-2-enamide
2-cyano-3-{3-ethoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N-(4-methylphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | C679-0439 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N-(4-methylphenyl)prop-2-enamide |
| Molecular Weight: | 501.56 |
| Molecular Formula: | C26 H23 N5 O4 S |
| Smiles: | CCOc1cc(\C=C(/C#N)C(Nc2ccc(C)cc2)=O)ccc1OCC1=CC(N2C(=N1)SC(C)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9208 |
| logD: | 3.914 |
| logSw: | -4.0246 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.387 |
| InChI Key: | GUPSLPQGEWJWPE-UHFFFAOYSA-N |