octyl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
octyl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
octyl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 5591-1285 |
| Compound Name: | octyl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C24 H28 N2 O7 S |
| Smiles: | CCCCCCCCOC(c1c2cc(ccc2oc1C)NS(c1cccc(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6452 |
| logD: | 6.1717 |
| logSw: | -5.6155 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.265 |
| InChI Key: | LIVBQOMIENMBJZ-UHFFFAOYSA-N |