2-(2-methylphenyl)-7-({4-[(phenylsulfanyl)acetyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(2-methylphenyl)-7-({4-[(phenylsulfanyl)acetyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(2-methylphenyl)-7-({4-[(phenylsulfanyl)acetyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0107 |
| Compound Name: | 2-(2-methylphenyl)-7-({4-[(phenylsulfanyl)acetyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C25 H25 N5 O2 S2 |
| Smiles: | Cc1ccccc1C1=NN2C(=NC(CN3CCN(CC3)C(CSc3ccccc3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.0268 |
| logD: | 3.0245 |
| logSw: | -3.394 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.932 |
| InChI Key: | BALQLDFBSIVTSF-UHFFFAOYSA-N |