2-(4-benzylpiperazin-1-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(4-benzylpiperazin-1-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(3H)-one
2-(4-benzylpiperazin-1-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-1089 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 406.55 |
| Molecular Formula: | C23 H26 N4 O S |
| Smiles: | Cc1ccc(cc1)SCC1=CC(NC(=N1)N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8107 |
| logD: | 3.395 |
| logSw: | -3.8002 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.632 |
| InChI Key: | NMIGAIIEXWLWIN-UHFFFAOYSA-N |