4-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
4-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | G768-1178 |
| Compound Name: | 4-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 506.65 |
| Molecular Formula: | C25 H26 N6 O2 S2 |
| Smiles: | Cc1ccc(cc1)C1=NN2C(=NC(CN3CCN(CC3)C(Nc3cccc(c3)SC)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.5551 |
| logD: | 3.4706 |
| logSw: | -3.7745 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.28 |
| InChI Key: | QLHOBQZPEBOERI-UHFFFAOYSA-N |