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-fluorophenyl)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-fluorophenyl)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-fluorophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | C679-0499 |
| 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-fluorophenyl)prop-2-enamide |
| Molecular Weight: | 505.53 |
| Molecular Formula: | C25 H20 F N5 O4 S |
| Smiles: | CCOc1cc(\C=C(/C#N)C(Nc2ccc(cc2)F)=O)ccc1OCC1=CC(N2C(=N1)SC(C)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5265 |
| logD: | 3.4487 |
| logSw: | -3.8286 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.387 |
| InChI Key: | KDBMJVBCIORIOQ-UHFFFAOYSA-N |