methyl 5-[N-(4-bromobenzene-1-sulfonyl)-4-nitrobenzamido]-2-methyl-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
methyl 5-[N-(4-bromobenzene-1-sulfonyl)-4-nitrobenzamido]-2-methyl-1-benzofuran-3-carboxylate
methyl 5-[N-(4-bromobenzene-1-sulfonyl)-4-nitrobenzamido]-2-methyl-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 3461-3100 |
| Compound Name: | methyl 5-[N-(4-bromobenzene-1-sulfonyl)-4-nitrobenzamido]-2-methyl-1-benzofuran-3-carboxylate |
| Molecular Weight: | 573.37 |
| Molecular Formula: | C24 H17 Br N2 O8 S |
| Smiles: | Cc1c(C(=O)OC)c2cc(ccc2o1)N(C(c1ccc(cc1)[N+]([O-])=O)=O)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2343 |
| logD: | 5.2343 |
| logSw: | -5.3552 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 108.049 |
| InChI Key: | LPHLTDMAAKRXOO-UHFFFAOYSA-N |