2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide
Chemical Structure Depiction of
2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide
2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide
Compound characteristics
| Compound ID: | Y020-5164 |
| Compound Name: | 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide |
| Molecular Weight: | 316.23 |
| Molecular Formula: | C12 H8 N6 O5 |
| Smiles: | C(C(Nn1cnnc1)=O)N1C(c2cccc(c2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | -1.7642 |
| logD: | -1.7642 |
| logSw: | -2.5651 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.584 |
| InChI Key: | RKZRDMOFMUTKSD-UHFFFAOYSA-N |