2-cyano-3-{3-ethoxy-4-[(2-ethyl-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-ethyl-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-ethyl-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: | C679-0500 |
| 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-(4-fluorophenyl)prop-2-enamide |
| Molecular Weight: | 519.55 |
| Molecular Formula: | C26 H22 F N5 O4 S |
| Smiles: | CCC1=NN2C(=NC(COc3ccc(\C=C(/C#N)C(Nc4ccc(cc4)F)=O)cc3OCC)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.8978 |
| logD: | 3.8186 |
| logSw: | -4.0654 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.118 |
| InChI Key: | JQEPWZNQKNVQLB-UHFFFAOYSA-N |