methyl 2-methyl-5-[N-(4-methyl-3-nitrobenzene-1-sulfonyl)butanamido]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-5-[N-(4-methyl-3-nitrobenzene-1-sulfonyl)butanamido]-1-benzofuran-3-carboxylate
methyl 2-methyl-5-[N-(4-methyl-3-nitrobenzene-1-sulfonyl)butanamido]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 5591-3733 |
| Compound Name: | methyl 2-methyl-5-[N-(4-methyl-3-nitrobenzene-1-sulfonyl)butanamido]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 474.49 |
| Molecular Formula: | C22 H22 N2 O8 S |
| Smiles: | CCCC(N(c1ccc2c(c1)c(C(=O)OC)c(C)o2)S(c1ccc(C)c(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6848 |
| logD: | 4.6848 |
| logSw: | -4.7186 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 107.492 |
| InChI Key: | AEPUHPFHSPEUMY-UHFFFAOYSA-N |