pentyl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
pentyl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
pentyl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 4456-0531 |
| Compound Name: | pentyl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C21 H22 N2 O7 S |
| Smiles: | CCCCCOC(c1c2cc(ccc2oc1C)NS(c1cccc(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1574 |
| logD: | 4.684 |
| logSw: | -5.0253 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.265 |
| InChI Key: | HSUBKRXKHKVCLC-UHFFFAOYSA-N |