Basic information
- CAS
81653-56-7- Standard SMILES
COCCCNc1nc(NCCCOC)c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)c(C)c1C#N- InChIKey
XSKIDHVJVYFGJK-UHFFFAOYSA-N- Molecular formula
- C23H32N6O11S3
- Average molar mass
- 664.7 g/mol
- Monoisotopic mass
- 664.12911938
Names & identifiers
- Preferred name
- 2Nzh3NH2DR
- IUPAC
- 2-[[5-cyano-2,6-bis(3-methoxypropylamino)-4-methyl-3-pyridinyl]diazenyl]-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid
Names & synonyms
2NZH3NH2DRUNII-2NZH3NH2DR81653-56-72-(2-(5-Cyano-2,6-bis((3-methoxypropyl)amino)-4-methyl-3-pyridinyl)diazenyl)-5-((2-(sulfooxy)ethyl)sulfonyl)benzenesulfonic acidBenzenesulfonic acid, 2-(2-(5-cyano-2,6-bis((3-methoxypropyl)amino)-4-methyl-3-pyridinyl)diazenyl)-5-((2-(sulfooxy)ethyl)sulfonyl)-
Database identifiers
- CAS
81653-56-7- PubChem CID
- 44147201
- UNII
- 2NZH3NH2DR
- Nikkaji
- J366.641G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 281 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 18
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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