1,1'-{sulfonylbis[(6-methyl-3,1-phenylene)sulfonyl]}bis(azepane)
Chemical Structure Depiction of
1,1'-{sulfonylbis[(6-methyl-3,1-phenylene)sulfonyl]}bis(azepane)
1,1'-{sulfonylbis[(6-methyl-3,1-phenylene)sulfonyl]}bis(azepane)
Compound characteristics
| Compound ID: | 3506-0183 |
| Compound Name: | 1,1'-{sulfonylbis[(6-methyl-3,1-phenylene)sulfonyl]}bis(azepane) |
| Molecular Weight: | 568.77 |
| Molecular Formula: | C26 H36 N2 O6 S3 |
| Smiles: | Cc1ccc(cc1S(N1CCCCCC1)(=O)=O)S(c1ccc(C)c(c1)S(N1CCCCCC1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5358 |
| logD: | 5.5358 |
| logSw: | -5.3222 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 93.823 |
| InChI Key: | LVIJRPYCEUCDFS-UHFFFAOYSA-N |