dimethyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-5-nitrobenzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-5-nitrobenzene-1,4-dicarboxylate
dimethyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-5-nitrobenzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | 8017-7689 |
| Compound Name: | dimethyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-5-nitrobenzene-1,4-dicarboxylate |
| Molecular Weight: | 377.37 |
| Molecular Formula: | C16 H15 N3 O6 S |
| Smiles: | Cc1cc(C)nc(n1)Sc1cc(C(=O)OC)c(cc1C(=O)OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9398 |
| logD: | 2.9398 |
| logSw: | -3.4063 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 92.301 |
| InChI Key: | GMEDPCRQBAURGH-UHFFFAOYSA-N |