2-phenyl-7-[4-(2-phenylbutanoyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-phenyl-7-[4-(2-phenylbutanoyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-phenyl-7-[4-(2-phenylbutanoyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F529-0072 |
| Compound Name: | 2-phenyl-7-[4-(2-phenylbutanoyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C25 H25 N5 O2 S |
| Smiles: | CCC(C(N1CCN(CC1)C1=CC(N2C(=N1)SC(c1ccccc1)=N2)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7849 |
| logD: | 3.7774 |
| logSw: | -3.8561 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.825 |
| InChI Key: | GYNUMQCZUNOOOQ-HXUWFJFHSA-N |