methyl 4-{[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate
methyl 4-{[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 8004-0431 |
| Compound Name: | methyl 4-{[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate |
| Molecular Weight: | 355.3 |
| Molecular Formula: | C17 H13 N3 O6 |
| Smiles: | COC(c1ccc(cc1)NCN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9168 |
| logD: | 1.9168 |
| logSw: | -2.5975 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.906 |
| InChI Key: | YISAAUBCIVXDHL-UHFFFAOYSA-N |