2-methyl-2-[(4-nitrobenzene-1-sulfonyl)amino]propyl 4-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
2-methyl-2-[(4-nitrobenzene-1-sulfonyl)amino]propyl 4-nitrobenzene-1-sulfonate
2-methyl-2-[(4-nitrobenzene-1-sulfonyl)amino]propyl 4-nitrobenzene-1-sulfonate
Compound characteristics
| Compound ID: | Y031-9233 |
| Compound Name: | 2-methyl-2-[(4-nitrobenzene-1-sulfonyl)amino]propyl 4-nitrobenzene-1-sulfonate |
| Molecular Weight: | 459.45 |
| Molecular Formula: | C16 H17 N3 O9 S2 |
| Smiles: | CC(C)(COS(c1ccc(cc1)[N+]([O-])=O)(=O)=O)NS(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4554 |
| logD: | 2.455 |
| logSw: | -2.8745 |
| Hydrogen bond acceptors count: | 18 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 145.624 |
| InChI Key: | XHPFFZYBMYEZQS-UHFFFAOYSA-N |