2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4226-1825 |
| Compound Name: | 2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 292.31 |
| Molecular Formula: | C13 H12 N2 O4 S |
| Smiles: | CC1=CC(NC(=N1)SCC(c1ccc(c(c1)O)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8617 |
| logD: | 0.2552 |
| logSw: | -2.1387 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.643 |
| InChI Key: | GYSSMOSVLZXNJL-UHFFFAOYSA-N |