5-benzyl-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-benzyl-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
5-benzyl-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | D058-0152 |
| Compound Name: | 5-benzyl-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C24 H26 N4 O2 S |
| Smiles: | CC1=C(Cc2ccccc2)C(NC(=N1)SCC(N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0246 |
| logD: | 2.9402 |
| logSw: | -3.3032 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.534 |
| InChI Key: | MAQSWFDZEDUYBD-UHFFFAOYSA-N |