7-{[4-(4-bromobenzoyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[4-(4-bromobenzoyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(4-bromobenzoyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0835 |
| Compound Name: | 7-{[4-(4-bromobenzoyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 516.44 |
| Molecular Formula: | C21 H18 Br N5 O2 S2 |
| Smiles: | C1CN(CCN1CC1=CC(N2C(=N1)SC(c1cccs1)=N2)=O)C(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9813 |
| logD: | 2.9777 |
| logSw: | -3.1581 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.478 |
| InChI Key: | CQUQFGPEHXIEFR-UHFFFAOYSA-N |