7-[4-(4-bromobenzoyl)piperazin-1-yl]-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-[4-(4-bromobenzoyl)piperazin-1-yl]-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-[4-(4-bromobenzoyl)piperazin-1-yl]-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F529-0067 |
| Compound Name: | 7-[4-(4-bromobenzoyl)piperazin-1-yl]-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 496.38 |
| Molecular Formula: | C22 H18 Br N5 O2 S |
| Smiles: | C1CN(CCN1C1=CC(N2C(=N1)SC(c1ccccc1)=N2)=O)C(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4409 |
| logD: | 3.4334 |
| logSw: | -3.6018 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.825 |
| InChI Key: | IRTZGAPCRBMJMM-UHFFFAOYSA-N |