rel-(2~1~R,2~6~R)-1~3~-nitro-2~6~-(3-nitro-1H-1,2,4-triazol-1-yl)-2~1~,2~6~-dihydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~5~(2~2~H)-one
Chemical Structure Depiction of
rel-(2~1~R,2~6~R)-1~3~-nitro-2~6~-(3-nitro-1H-1,2,4-triazol-1-yl)-2~1~,2~6~-dihydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~5~(2~2~H)-one
rel-(2~1~R,2~6~R)-1~3~-nitro-2~6~-(3-nitro-1H-1,2,4-triazol-1-yl)-2~1~,2~6~-dihydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~5~(2~2~H)-one
Compound characteristics
| Compound ID: | 8006-2521 |
| Compound Name: | rel-(2~1~R,2~6~R)-1~3~-nitro-2~6~-(3-nitro-1H-1,2,4-triazol-1-yl)-2~1~,2~6~-dihydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~5~(2~2~H)-one |
| Molecular Weight: | 405.37 |
| Molecular Formula: | C20 H15 N5 O5 |
| Smiles: | C1C(=CC([C@@H]([C@H]1c1cccc(c1)[N+]([O-])=O)n1cnc(n1)[N+]([O-])=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1933 |
| logD: | 3.1933 |
| logSw: | -3.4942 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 101.337 |
| InChI Key: | KFHXANKRVHEBFP-HKUYNNGSSA-N |