N-[(2-benzyl-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl)methyl]-4-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-[(2-benzyl-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl)methyl]-4-nitrobenzene-1-sulfonamide
N-[(2-benzyl-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl)methyl]-4-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8004-9661 |
| Compound Name: | N-[(2-benzyl-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl)methyl]-4-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 469.47 |
| Molecular Formula: | C22 H19 N3 O7 S |
| Smiles: | C(C12C=CC(C3C1C(N(Cc1ccccc1)C3=O)=O)O2)NS(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4192 |
| logD: | 2.419 |
| logSw: | -2.896 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.747 |
| InChI Key: | GQXMOYMENDCZKV-UHFFFAOYSA-N |