Basic information
- CAS
1184938-76-8- Standard SMILES
Cc1c(C#N)c(NCc2ccccc2)nc(N)c1N=Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1- InChIKey
CKTRFVFHXKQGMA-UHFFFAOYSA-N- Molecular formula
- C26H22N8O3S
- Average molar mass
- 526.6 g/mol
- Monoisotopic mass
- 526.15355777
Names & identifiers
- Preferred name
- 4-[2-[4-[2-[2-Amino-5-cyano-4-methyl-6-[(phenylmethyl)amino]-3-pyridinyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid
- IUPAC
- 4-[[4-[[2-amino-6-(benzylamino)-5-cyano-4-methyl-3-pyridinyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid
Names & synonyms
DTXSID5011057511184938-76-84-[2-[4-[2-[2-Amino-5-cyano-4-methyl-6-[(phenylmethyl)amino]-3-pyridinyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid
Database identifiers
- CAS
1184938-76-8- PubChem CID
- 165367136
- DTXSID
DTXSID501105751
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 955
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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