5-ethyl-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-ethyl-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
5-ethyl-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | D058-0150 |
| Compound Name: | 5-ethyl-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 372.49 |
| Molecular Formula: | C19 H24 N4 O2 S |
| Smiles: | CCC1=C(C)N=C(NC1=O)SCC(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.99 |
| logD: | 1.7666 |
| logSw: | -2.4202 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.805 |
| InChI Key: | HXHOTSLYZSSUAA-UHFFFAOYSA-N |