heptyl 2-methyl-5-[(2-methyl-5-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
heptyl 2-methyl-5-[(2-methyl-5-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
heptyl 2-methyl-5-[(2-methyl-5-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 5591-3702 |
| Compound Name: | heptyl 2-methyl-5-[(2-methyl-5-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C24 H28 N2 O7 S |
| Smiles: | CCCCCCCOC(c1c2cc(ccc2oc1C)NS(c1cc(ccc1C)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7203 |
| logD: | 5.6808 |
| logSw: | -5.6244 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.265 |
| InChI Key: | XGHRIMKMYBCJPS-UHFFFAOYSA-N |