6-(4-methylphenyl)-1-(2-nitrophenyl)-3a,4,4a,7a,8,8a-hexahydro-4,8-methano[1,2,3]triazolo[4,5-f]isoindole-5,7(1H,6H)-dione
Chemical Structure Depiction of
6-(4-methylphenyl)-1-(2-nitrophenyl)-3a,4,4a,7a,8,8a-hexahydro-4,8-methano[1,2,3]triazolo[4,5-f]isoindole-5,7(1H,6H)-dione
6-(4-methylphenyl)-1-(2-nitrophenyl)-3a,4,4a,7a,8,8a-hexahydro-4,8-methano[1,2,3]triazolo[4,5-f]isoindole-5,7(1H,6H)-dione
Compound characteristics
| Compound ID: | 8013-2086 |
| Compound Name: | 6-(4-methylphenyl)-1-(2-nitrophenyl)-3a,4,4a,7a,8,8a-hexahydro-4,8-methano[1,2,3]triazolo[4,5-f]isoindole-5,7(1H,6H)-dione |
| Molecular Weight: | 417.42 |
| Molecular Formula: | C22 H19 N5 O4 |
| Smiles: | Cc1ccc(cc1)N1C(C2C3CC(C2C1=O)C1C3N=NN1c1ccccc1[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.161 |
| logD: | 3.161 |
| logSw: | -3.4871 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.306 |
| InChI Key: | FUDXRGXMLQXLPF-UHFFFAOYSA-N |