7-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-2-(4-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-2-(4-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-2-(4-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0263 |
| Compound Name: | 7-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-2-(4-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C25 H23 N5 O4 S |
| Smiles: | Cc1ccc(cc1)C1=NN2C(=NC(CN3CCN(CC3)C(c3ccc4c(c3)OCO4)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.5722 |
| logD: | 2.5684 |
| logSw: | -2.9589 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.575 |
| InChI Key: | SKAMMEKOMRZAOE-UHFFFAOYSA-N |