4-[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
4-[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | F525-0066 |
| Compound Name: | 4-[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 492.62 |
| Molecular Formula: | C24 H24 N6 O2 S2 |
| Smiles: | Cc1ccccc1C1=NN2C(=NC(=CC2=O)N2CCN(CC2)C(Nc2cccc(c2)SC)=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.7666 |
| logD: | 3.7625 |
| logSw: | -3.9315 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.645 |
| InChI Key: | RTOABYWEKMALKN-UHFFFAOYSA-N |