2-[(6-methylpyrimidin-4-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-[(6-methylpyrimidin-4-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
2-[(6-methylpyrimidin-4-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | D306-0238 |
| Compound Name: | 2-[(6-methylpyrimidin-4-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 289.31 |
| Molecular Formula: | C13 H11 N3 O3 S |
| Smiles: | Cc1cc(ncn1)SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.367 |
| logD: | 2.3668 |
| logSw: | -2.6072 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.573 |
| InChI Key: | XCGRUTJCGBJFJW-UHFFFAOYSA-N |