benzyl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
benzyl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
benzyl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 5591-1815 |
| Compound Name: | benzyl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 466.47 |
| Molecular Formula: | C23 H18 N2 O7 S |
| Smiles: | Cc1c(C(=O)OCc2ccccc2)c2cc(ccc2o1)NS(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6963 |
| logD: | 4.2229 |
| logSw: | -4.8629 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.075 |
| InChI Key: | GMUXZWLUACOROC-UHFFFAOYSA-N |