7-(2-chlorophenyl)-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-(2-chlorophenyl)-3,6-dioxo-5,7-dihydro-4H-3lambda~5~,6lambda~5~-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole
7-(2-chlorophenyl)-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: | 3454-1844 |
| Compound Name: | 7-(2-chlorophenyl)-3,6-dioxo-5,7-dihydro-4H-3lambda~5~,6lambda~5~-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole |
| Molecular Weight: | 305.68 |
| Molecular Formula: | C12 H8 Cl N5 O3 |
| Smiles: | C1Cc2c(c3c1[n+](n(c1ccccc1[Cl])n3)[O-])no[n+]2[O-] |
| Stereo: | ACHIRAL |
| logP: | 1.9314 |
| logD: | 1.9314 |
| logSw: | -2.4476 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 76.456 |
| InChI Key: | ZKMJZXOMSGVIQP-UHFFFAOYSA-N |