2-[({[3,7-bis(4-methylbenzene-1-sulfonyl)-1,3,7-triazabicyclo[3.3.1]nonan-5-yl](phenyl)methylidene}hydrazinylidene)methyl]-4,6-dibromophenol
Chemical Structure Depiction of
2-[({[3,7-bis(4-methylbenzene-1-sulfonyl)-1,3,7-triazabicyclo[3.3.1]nonan-5-yl](phenyl)methylidene}hydrazinylidene)methyl]-4,6-dibromophenol
2-[({[3,7-bis(4-methylbenzene-1-sulfonyl)-1,3,7-triazabicyclo[3.3.1]nonan-5-yl](phenyl)methylidene}hydrazinylidene)methyl]-4,6-dibromophenol
Compound characteristics
| Compound ID: | 8004-2222 |
| Compound Name: | 2-[({[3,7-bis(4-methylbenzene-1-sulfonyl)-1,3,7-triazabicyclo[3.3.1]nonan-5-yl](phenyl)methylidene}hydrazinylidene)methyl]-4,6-dibromophenol |
| Molecular Weight: | 815.6 |
| Molecular Formula: | C34 H33 Br2 N5 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(N1CC2(CN(C1)CN(C2)S(c1ccc(C)cc1)(=O)=O)C(\c1ccccc1)=N/N=C/c1cc(cc(c1O)[Br])[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.9598 |
| logD: | 7.8748 |
| logSw: | -5.6092 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.076 |
| InChI Key: | WUIFFMMVFGXPGE-UHFFFAOYSA-N |