2-(heptylsulfanyl)-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(heptylsulfanyl)-6-methylpyrimidin-4(3H)-one
2-(heptylsulfanyl)-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3992-1039 |
| Compound Name: | 2-(heptylsulfanyl)-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 240.36 |
| Molecular Formula: | C12 H20 N2 O S |
| Smiles: | CCCCCCCSC1NC(C=C(C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8339 |
| logD: | 3.0994 |
| logSw: | -3.6337 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.571 |
| InChI Key: | UAHWAAPDKMGTGX-UHFFFAOYSA-N |