4-({4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-3,5-dione
Chemical Structure Depiction of
4-({4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-3,5-dione
4-({4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-3,5-dione
Compound characteristics
| Compound ID: | C679-0158 |
| Compound Name: | 4-({4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-3,5-dione |
| Molecular Weight: | 473.51 |
| Molecular Formula: | C24 H19 N5 O4 S |
| Smiles: | CCC1=NN2C(=NC(COc3ccc(\C=C4/C(NN(C4=O)c4ccccc4)=O)cc3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.789 |
| logD: | 2.7197 |
| logSw: | -3.2952 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.195 |
| InChI Key: | HKFGQJJRLASSNT-UHFFFAOYSA-N |