rel-(2~1~R,2~6~R)-2~6~-(1H-benzotriazol-1-yl)-1~3~-nitro-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)-2~6~-(1H-benzotriazol-1-yl)-1~3~-nitro-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)-2~6~-(1H-benzotriazol-1-yl)-1~3~-nitro-2~1~,2~6~-dihydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~5~(2~2~H)-one
Compound characteristics
| Compound ID: | 8005-5801 |
| Compound Name: | rel-(2~1~R,2~6~R)-2~6~-(1H-benzotriazol-1-yl)-1~3~-nitro-2~1~,2~6~-dihydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~5~(2~2~H)-one |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C24 H18 N4 O3 |
| Smiles: | C1C(=CC([C@@H]([C@H]1c1cccc(c1)[N+]([O-])=O)n1c2ccccc2nn1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.6016 |
| logD: | 4.6016 |
| logSw: | -4.6445 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.651 |
| InChI Key: | HUHMNGGUYZENEP-RDPSFJRHSA-N |