ethyl {4-[benzyl(methyl)carbamoyl]-2-nitrobenzene-1-sulfonyl}acetate
Chemical Structure Depiction of
ethyl {4-[benzyl(methyl)carbamoyl]-2-nitrobenzene-1-sulfonyl}acetate
ethyl {4-[benzyl(methyl)carbamoyl]-2-nitrobenzene-1-sulfonyl}acetate
Compound characteristics
| Compound ID: | K781-8419 |
| Compound Name: | ethyl {4-[benzyl(methyl)carbamoyl]-2-nitrobenzene-1-sulfonyl}acetate |
| Molecular Weight: | 420.44 |
| Molecular Formula: | C19 H20 N2 O7 S |
| Smiles: | CCOC(CS(c1ccc(cc1[N+]([O-])=O)C(N(C)Cc1ccccc1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5548 |
| logD: | 2.5548 |
| logSw: | -2.8543 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 98.664 |
| InChI Key: | BGUWCQGLZOOHJF-UHFFFAOYSA-N |