1,4,7-tris(4-methylbenzene-1-sulfonyl)-1,4,7-triazonane
Chemical Structure Depiction of
1,4,7-tris(4-methylbenzene-1-sulfonyl)-1,4,7-triazonane
1,4,7-tris(4-methylbenzene-1-sulfonyl)-1,4,7-triazonane
Compound characteristics
Compound ID: | 0177-0010 |
Compound Name: | 1,4,7-tris(4-methylbenzene-1-sulfonyl)-1,4,7-triazonane |
Molecular Weight: | 591.77 |
Molecular Formula: | C27 H33 N3 O6 S3 |
Smiles: | Cc1ccc(cc1)S(N1CCN(CCN(CC1)S(c1ccc(C)cc1)(=O)=O)S(c1ccc(C)cc1)(=O)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.8058 |
logD: | 4.8058 |
logSw: | -4.5355 |
Hydrogen bond acceptors count: | 15 |
Polar surface area: | 95.318 |
InChI Key: | BLZOXONTWBENEK-UHFFFAOYSA-N |