methyl 4-[6-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanamido]benzoate
Chemical Structure Depiction of
methyl 4-[6-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanamido]benzoate
methyl 4-[6-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanamido]benzoate
Compound characteristics
| Compound ID: | 4248-0037 |
| Compound Name: | methyl 4-[6-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanamido]benzoate |
| Molecular Weight: | 439.42 |
| Molecular Formula: | C22 H21 N3 O7 |
| Smiles: | COC(c1ccc(cc1)NC(CCCCCN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1986 |
| logD: | 2.1984 |
| logSw: | -2.9567 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.873 |
| InChI Key: | UGVTUAQTAZDHJM-UHFFFAOYSA-N |