methyl 3-[3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzoate
Chemical Structure Depiction of
methyl 3-[3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzoate
methyl 3-[3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | 2595-1292 |
| Compound Name: | methyl 3-[3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzoate |
| Molecular Weight: | 397.34 |
| Molecular Formula: | C19 H15 N3 O7 |
| Smiles: | COC(c1cccc(c1)NC(CCN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6223 |
| logD: | 1.6223 |
| logSw: | -2.5426 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.873 |
| InChI Key: | SFIVOLUCDUXEIT-UHFFFAOYSA-N |