methyl 5-[N-(4-ethylbenzene-1-sulfonyl)-4-nitrobenzamido]-2-methyl-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
methyl 5-[N-(4-ethylbenzene-1-sulfonyl)-4-nitrobenzamido]-2-methyl-1-benzofuran-3-carboxylate
methyl 5-[N-(4-ethylbenzene-1-sulfonyl)-4-nitrobenzamido]-2-methyl-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 5591-1574 |
| Compound Name: | methyl 5-[N-(4-ethylbenzene-1-sulfonyl)-4-nitrobenzamido]-2-methyl-1-benzofuran-3-carboxylate |
| Molecular Weight: | 522.53 |
| Molecular Formula: | C26 H22 N2 O8 S |
| Smiles: | CCc1ccc(cc1)S(N(C(c1ccc(cc1)[N+]([O-])=O)=O)c1ccc2c(c1)c(C(=O)OC)c(C)o2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3311 |
| logD: | 5.3311 |
| logSw: | -5.5465 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 108.049 |
| InChI Key: | XGFWNLDNLHZGBL-UHFFFAOYSA-N |