7-{[4-(3-bromobenzoyl)piperazin-1-yl]methyl}-2-(3-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[4-(3-bromobenzoyl)piperazin-1-yl]methyl}-2-(3-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(3-bromobenzoyl)piperazin-1-yl]methyl}-2-(3-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0578 |
| Compound Name: | 7-{[4-(3-bromobenzoyl)piperazin-1-yl]methyl}-2-(3-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 528.4 |
| Molecular Formula: | C23 H19 Br F N5 O2 S |
| Smiles: | C1CN(CCN1CC1=CC(N2C(=N1)SC(c1cccc(c1)F)=N2)=O)C(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1722 |
| logD: | 3.1686 |
| logSw: | -3.3409 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.459 |
| InChI Key: | CRKZKOURYKVZOH-UHFFFAOYSA-N |