methyl 4-[2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanamido]benzoate
methyl 4-[2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanamido]benzoate
Compound characteristics
| Compound ID: | 3795-0491 |
| Compound Name: | methyl 4-[2-(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: | CCCCC(C(Nc1ccc(cc1)C(=O)OC)=O)N1C(c2cccc(c2C1=O)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2134 |
| logD: | 3.2132 |
| logSw: | -3.8382 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.034 |
| InChI Key: | BYQAWHPUMXIMMG-KRWDZBQOSA-N |