2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(3H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-1139 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C24 H26 N4 O3 S |
| Smiles: | Cc1ccc(cc1)SCC1=CC(NC(=N1)N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6819 |
| logD: | 2.2735 |
| logSw: | -3.7853 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.747 |
| InChI Key: | PQDBBBVRICFIGF-UHFFFAOYSA-N |