5-butyl-3-(3,4-dimethylphenyl)-6-hydroxy-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-butyl-3-(3,4-dimethylphenyl)-6-hydroxy-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
5-butyl-3-(3,4-dimethylphenyl)-6-hydroxy-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y010-0584 |
| Compound Name: | 5-butyl-3-(3,4-dimethylphenyl)-6-hydroxy-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 429.58 |
| Molecular Formula: | C23 H31 N3 O3 S |
| Smiles: | CCCCC1=C(N=C(N(C1=O)c1ccc(C)c(C)c1)SCC(N1CCCCC1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.5271 |
| logD: | 1.1319 |
| logSw: | -4.1007 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.723 |
| InChI Key: | LVMOSXCKTREQLL-UHFFFAOYSA-N |