ethyl 4-{[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate
ethyl 4-{[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 8004-0617 |
| Compound Name: | ethyl 4-{[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate |
| Molecular Weight: | 369.33 |
| Molecular Formula: | C18 H15 N3 O6 |
| Smiles: | CCOC(c1ccc(cc1)NCN1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.358 |
| logD: | 3.358 |
| logSw: | -3.6409 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.786 |
| InChI Key: | ONXFUVWVTDMVFR-UHFFFAOYSA-N |