methyl 2-methyl-5-[N-(3-nitrobenzene-1-sulfonyl)butanamido]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-5-[N-(3-nitrobenzene-1-sulfonyl)butanamido]-1-benzofuran-3-carboxylate
methyl 2-methyl-5-[N-(3-nitrobenzene-1-sulfonyl)butanamido]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 5591-1560 |
| Compound Name: | methyl 2-methyl-5-[N-(3-nitrobenzene-1-sulfonyl)butanamido]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 460.46 |
| Molecular Formula: | C21 H20 N2 O8 S |
| Smiles: | CCCC(N(c1ccc2c(c1)c(C(=O)OC)c(C)o2)S(c1cccc(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9748 |
| logD: | 3.9748 |
| logSw: | -4.2531 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 107.793 |
| InChI Key: | JSSFSCUABXCNCI-UHFFFAOYSA-N |