methyl 2-methyl-5-[N-(4-methylbenzene-1-sulfonyl)-3-nitrobenzamido]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-5-[N-(4-methylbenzene-1-sulfonyl)-3-nitrobenzamido]-1-benzofuran-3-carboxylate
methyl 2-methyl-5-[N-(4-methylbenzene-1-sulfonyl)-3-nitrobenzamido]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 3461-3066 |
| Compound Name: | methyl 2-methyl-5-[N-(4-methylbenzene-1-sulfonyl)-3-nitrobenzamido]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 508.51 |
| Molecular Formula: | C25 H20 N2 O8 S |
| Smiles: | Cc1ccc(cc1)S(N(C(c1cccc(c1)[N+]([O-])=O)=O)c1ccc2c(c1)c(C(=O)OC)c(C)o2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.76 |
| logD: | 4.76 |
| logSw: | -4.888 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 108.049 |
| InChI Key: | CIEDDCGZTSRPCP-UHFFFAOYSA-N |