7-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0153 |
| Compound Name: | 7-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 524.44 |
| Molecular Formula: | C24 H22 Br N5 O2 S |
| Smiles: | Cc1cccc(c1)C1=NN2C(=NC(CN3CCN(CC3)C(c3ccccc3[Br])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.1235 |
| logD: | 3.1198 |
| logSw: | -3.3776 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.459 |
| InChI Key: | RHJWNKFSPIGTBI-UHFFFAOYSA-N |