[1-(4-nitrophenyl)-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-4,8-methano[1,2,3]triazolo[4,5-f]isoindol-6(1H)-yl]acetic acid
Chemical Structure Depiction of
[1-(4-nitrophenyl)-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-4,8-methano[1,2,3]triazolo[4,5-f]isoindol-6(1H)-yl]acetic acid
[1-(4-nitrophenyl)-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-4,8-methano[1,2,3]triazolo[4,5-f]isoindol-6(1H)-yl]acetic acid
Compound characteristics
| Compound ID: | 8013-2087 |
| Compound Name: | [1-(4-nitrophenyl)-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-4,8-methano[1,2,3]triazolo[4,5-f]isoindol-6(1H)-yl]acetic acid |
| Molecular Weight: | 385.33 |
| Molecular Formula: | C17 H15 N5 O6 |
| Smiles: | C1C2C3C(C1C1C2N=NN1c1ccc(cc1)[N+]([O-])=O)C(N(CC(O)=O)C3=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.1419 |
| logD: | -4.1812 |
| logSw: | -1.5932 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.175 |
| InChI Key: | AUBMHCNJNUOXBM-UHFFFAOYSA-N |