butyl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
butyl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
butyl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 4456-0493 |
| Compound Name: | butyl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 432.45 |
| Molecular Formula: | C20 H20 N2 O7 S |
| Smiles: | CCCCOC(c1c2cc(ccc2oc1C)NS(c1cccc(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6072 |
| logD: | 4.1338 |
| logSw: | -4.5142 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.265 |
| InChI Key: | NSFYPUMVINONBX-UHFFFAOYSA-N |