6-tert-butyl-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-tert-butyl-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-tert-butyl-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: | 8014-8719 |
| Compound Name: | 6-tert-butyl-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: | 383.41 |
| Molecular Formula: | C19 H21 N5 O4 |
| Smiles: | CC(C)(C)N1C(C2C3CC(C2C1=O)C1C3N=NN1c1ccccc1[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3014 |
| logD: | 2.3014 |
| logSw: | -2.4586 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.273 |
| InChI Key: | BGEBNCFBGNHABL-UHFFFAOYSA-N |