methyl 2-[(3-nitrobenzamido)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
Chemical Structure Depiction of
methyl 2-[(3-nitrobenzamido)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
methyl 2-[(3-nitrobenzamido)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
Compound characteristics
| Compound ID: | V030-9366 |
| Compound Name: | methyl 2-[(3-nitrobenzamido)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate |
| Molecular Weight: | 356.33 |
| Molecular Formula: | C18 H16 N2 O6 |
| Salt: | not_available |
| Smiles: | COC(c1ccc2c(CC(CNC(c3cccc(c3)[N+]([O-])=O)=O)O2)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8421 |
| logD: | 2.8421 |
| logSw: | -3.3969 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.803 |
| InChI Key: | NJJIYXGLILOZAX-OAHLLOKOSA-N |