4-({4-[(2-methyl-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-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-3,5-dione
4-({4-[(2-methyl-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: | C679-0157 |
| Compound Name: | 4-({4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-3,5-dione |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C23 H17 N5 O4 S |
| Smiles: | CC1=NN2C(=NC(COc3ccc(\C=C4/C(NN(C4=O)c4ccccc4)=O)cc3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.4176 |
| logD: | 2.3498 |
| logSw: | -2.7011 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.465 |
| InChI Key: | HEVDRGAGZRXLHI-UHFFFAOYSA-N |