1H-1,2,3-Triazolium, 1,1'-(p-phenylenebis(ureylene-p-phenylene))bis(3-methyl-, bis(methyl sulfate)
Basic information
- CAS
41430-77-7- Standard SMILES
COS(=O)(=O)[O-].COS(=O)(=O)[O-].C[n+]1ccn(-c2ccc(NC(=O)Nc3ccc(NC(=O)Nc4ccc(-n5cc[n+](C)n5)cc4)cc3)cc2)n1- InChIKey
JKVMXBWUUDSQOQ-UHFFFAOYSA-N- Molecular formula
- C28H32N10O10S2
- Average molar mass
- 732.7 g/mol
- Monoisotopic mass
- 732.1744296
Names & identifiers
- Preferred name
- 1H-1,2,3-Triazolium, 1,1'-(p-phenylenebis(ureylene-p-phenylene))bis(3-methyl-, bis(methyl sulfate)
- IUPAC
- methyl sulfate;1-[4-(3-methyltriazol-3-ium-1-yl)phenyl]-3-[4-[[4-(3-methyltriazol-3-ium-1-yl)phenyl]carbamoylamino]phenyl]urea
Names & synonyms
1H-1,2,3-Triazolium, 1,1'-(p-phenylenebis(ureylene-p-phenylene))bis(3-methyl-, bis(methyl sulfate)41430-77-7BAY b 1694Bayer 1694BAY d 7502Bis(3-methyl-1,2,3-triazolyl-1-yl-4-aminophenyl)diurea-2-methylsulfateDTXSID401943511,1'-[1,4-Phenylenebis(carbamoylazanediyl-4,1-phenylene)]bis(3-methyl-1H-1,2,3-triazol-3-ium) bis(methyl sulfate)
Database identifiers
- CAS
41430-77-7- PubChem CID
- 218958
- DTXSID
DTXSID40194351
Properties
Computed structural properties
- Topological polar surface area
- 275 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 805
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Compound notes
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