methyl 5-[2,6-dimethoxy-N-(3-nitrobenzene-1-sulfonyl)benzamido]-2-methyl-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
methyl 5-[2,6-dimethoxy-N-(3-nitrobenzene-1-sulfonyl)benzamido]-2-methyl-1-benzofuran-3-carboxylate
methyl 5-[2,6-dimethoxy-N-(3-nitrobenzene-1-sulfonyl)benzamido]-2-methyl-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 2318-0244 |
| Compound Name: | methyl 5-[2,6-dimethoxy-N-(3-nitrobenzene-1-sulfonyl)benzamido]-2-methyl-1-benzofuran-3-carboxylate |
| Molecular Weight: | 554.53 |
| Molecular Formula: | C26 H22 N2 O10 S |
| Smiles: | Cc1c(C(=O)OC)c2cc(ccc2o1)N(C(c1c(cccc1OC)OC)=O)S(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6927 |
| logD: | 3.6927 |
| logSw: | -4.2654 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 123.31 |
| InChI Key: | DMJMLTLIQSHLPD-UHFFFAOYSA-N |