7-{4-[(3,5-dimethylphenoxy)acetyl]piperazin-1-yl}-2-(2-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{4-[(3,5-dimethylphenoxy)acetyl]piperazin-1-yl}-2-(2-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{4-[(3,5-dimethylphenoxy)acetyl]piperazin-1-yl}-2-(2-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F529-0112 |
| Compound Name: | 7-{4-[(3,5-dimethylphenoxy)acetyl]piperazin-1-yl}-2-(2-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 489.6 |
| Molecular Formula: | C26 H27 N5 O3 S |
| Smiles: | Cc1cc(C)cc(c1)OCC(N1CCN(CC1)C1=CC(N2C(=N1)SC(c1ccccc1C)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6096 |
| logD: | 3.6055 |
| logSw: | -3.712 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.796 |
| InChI Key: | LLEZPKXFJNHVER-UHFFFAOYSA-N |