methyl (2-carbamoyl-3,5-dinitrobenzene-1-sulfonyl)acetate
Chemical Structure Depiction of
methyl (2-carbamoyl-3,5-dinitrobenzene-1-sulfonyl)acetate
methyl (2-carbamoyl-3,5-dinitrobenzene-1-sulfonyl)acetate
Compound characteristics
| Compound ID: | 8009-9629 |
| Compound Name: | methyl (2-carbamoyl-3,5-dinitrobenzene-1-sulfonyl)acetate |
| Molecular Weight: | 347.26 |
| Molecular Formula: | C10 H9 N3 O9 S |
| Smiles: | COC(CS(c1cc(cc(c1C(N)=O)[N+]([O-])=O)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -1.1034 |
| logD: | -1.1042 |
| logSw: | -1.5377 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 150.375 |
| InChI Key: | QOKHIZVXLFRXOD-UHFFFAOYSA-N |