7-(4-methylphenyl)-3,6-dioxo-5,7-dihydro-4H-3lambda~5~,6lambda~5~-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole
Chemical Structure Depiction of
7-(4-methylphenyl)-3,6-dioxo-5,7-dihydro-4H-3lambda~5~,6lambda~5~-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole
7-(4-methylphenyl)-3,6-dioxo-5,7-dihydro-4H-3lambda~5~,6lambda~5~-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole
Compound characteristics
| Compound ID: | 3454-1837 |
| Compound Name: | 7-(4-methylphenyl)-3,6-dioxo-5,7-dihydro-4H-3lambda~5~,6lambda~5~-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole |
| Molecular Weight: | 285.26 |
| Molecular Formula: | C13 H11 N5 O3 |
| Smiles: | Cc1ccc(cc1)n1nc2c3c(CCc2[n+]1[O-])[n+]([O-])on3 |
| Stereo: | ACHIRAL |
| logP: | 1.964 |
| logD: | 1.964 |
| logSw: | -2.0957 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 76.757 |
| InChI Key: | SXPJWROCUJCVRW-UHFFFAOYSA-N |