1-{4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-3-nitrophenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-3-nitrophenyl}ethan-1-one
1-{4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-3-nitrophenyl}ethan-1-one
Compound characteristics
| Compound ID: | 8017-6961 |
| Compound Name: | 1-{4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-3-nitrophenyl}ethan-1-one |
| Molecular Weight: | 303.34 |
| Molecular Formula: | C14 H13 N3 O3 S |
| Smiles: | CC(c1ccc(c(c1)[N+]([O-])=O)Sc1nc(C)cc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.03 |
| logD: | 3.03 |
| logSw: | -3.3769 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.78 |
| InChI Key: | JSTSCKQXIWFXHW-UHFFFAOYSA-N |