3-{3-chloro-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-cyano-N-phenylprop-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-phenylprop-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-phenylprop-2-enamide
Compound characteristics
| Compound ID: | C679-0406 |
| 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-phenylprop-2-enamide |
| Molecular Weight: | 477.93 |
| Molecular Formula: | C23 H16 Cl N5 O3 S |
| Smiles: | CC1=NN2C(=NC(COc3ccc(\C=C(/C#N)C(Nc4ccccc4)=O)cc3[Cl])=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.9754 |
| logD: | 3.969 |
| logSw: | -4.5306 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.177 |
| InChI Key: | UWWZRPNBCWDVBB-UHFFFAOYSA-N |