bis(4-tert-butylphenyl) 2,2'-(ethene-1,2-diyl)bis[5-(1H-triazirin-1-yl)benzene-1-sulfonate]
Chemical Structure Depiction of
bis(4-tert-butylphenyl) 2,2'-(ethene-1,2-diyl)bis[5-(1H-triazirin-1-yl)benzene-1-sulfonate]
bis(4-tert-butylphenyl) 2,2'-(ethene-1,2-diyl)bis[5-(1H-triazirin-1-yl)benzene-1-sulfonate]
Compound characteristics
| Compound ID: | 0102-0049 |
| Compound Name: | bis(4-tert-butylphenyl) 2,2'-(ethene-1,2-diyl)bis[5-(1H-triazirin-1-yl)benzene-1-sulfonate] |
| Molecular Weight: | 686.81 |
| Molecular Formula: | C34 H34 N6 O6 S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)OS(c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)Oc1ccc(cc1)C(C)(C)C)N1N=N1)N1N=N1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.7657 |
| logD: | 8.7657 |
| logSw: | -5.8807 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 122.019 |
| InChI Key: | KNKJCJGYVZEYHK-UHFFFAOYSA-N |