3-{3-chloro-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-cyano-N-(4-fluorophenyl)prop-2-enamide
Chemical Structure Depiction of
3-{3-chloro-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-cyano-N-(4-fluorophenyl)prop-2-enamide
3-{3-chloro-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-cyano-N-(4-fluorophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | C679-0502 |
| Compound Name: | 3-{3-chloro-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-cyano-N-(4-fluorophenyl)prop-2-enamide |
| Molecular Weight: | 495.92 |
| Molecular Formula: | C23 H15 Cl F N5 O3 S |
| Smiles: | CC1=NN2C(=NC(COc3ccc(\C=C(/C#N)C(Nc4ccc(cc4)F)=O)cc3[Cl])=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.1962 |
| logD: | 4.1184 |
| logSw: | -4.6057 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.177 |
| InChI Key: | SNUFCYJQANBFGZ-UHFFFAOYSA-N |