2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8003-5391 |
| Compound Name: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 303.34 |
| Molecular Formula: | C14 H13 N3 O3 S |
| Smiles: | Cc1cc(C)nc(n1)SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6434 |
| logD: | 2.6434 |
| logSw: | -2.9159 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.501 |
| InChI Key: | WEIRZXXYWLOSMA-UHFFFAOYSA-N |