2-cyano-N-(4-fluorophenyl)-3-{4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enamide
Chemical Structure Depiction of
2-cyano-N-(4-fluorophenyl)-3-{4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enamide
2-cyano-N-(4-fluorophenyl)-3-{4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enamide
Compound characteristics
| Compound ID: | C679-0493 |
| Compound Name: | 2-cyano-N-(4-fluorophenyl)-3-{4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enamide |
| Molecular Weight: | 461.47 |
| Molecular Formula: | C23 H16 F N5 O3 S |
| Smiles: | CC1=NN2C(=NC(COc3ccc(\C=C(/C#N)C(Nc4ccc(cc4)F)=O)cc3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.6556 |
| logD: | 3.5779 |
| logSw: | -3.9884 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.09 |
| InChI Key: | WKUBMDMZNLCGNK-UHFFFAOYSA-N |