N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-phenylprop-2-enamide
Chemical Structure Depiction of
N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-phenylprop-2-enamide
N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | C679-4046 |
| Compound Name: | N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-phenylprop-2-enamide |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C22 H18 N4 O3 S |
| Smiles: | CC1=NN2C(=NC(COc3cccc(c3)NC(/C=C/c3ccccc3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.8659 |
| logD: | 3.8608 |
| logSw: | -4.1052 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.821 |
| InChI Key: | VEJSTTYCKFUNJQ-UHFFFAOYSA-N |