4-[2-[4-[2-[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]ethyl]benzenesulfonyl fluoride;sulfuric acid
Basic information
- CAS
26194-13-8- Standard SMILES
Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(CCc2ccc(CCc3ccc(S(=O)(=O)F)cc3)cc2)n1.O=S(=O)(O)O- InChIKey
GPSUJXJJGKMEPL-UHFFFAOYSA-N- Molecular formula
- C26H25Cl2FN4O6S2
- Average molar mass
- 643.5 g/mol
- Monoisotopic mass
- 642.0576604
Names & identifiers
- Preferred name
- 4-[2-[4-[2-[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]ethyl]benzenesulfonyl fluoride;sulfuric acid
- IUPAC
- 4-[2-[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]ethyl]benzenesulfonyl fluoride;sulfuric acid
Names & synonyms
26194-13-8NSC125350DTXSID00329480NSC-125350Sulfuric acid--4-[2-(4-{2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl}phenyl)ethyl]benzene-1-sulfonyl fluoride (1/1)
Database identifiers
- CAS
26194-13-8- PubChem CID
- 420599
- DTXSID
DTXSID00329480
Properties
Computed structural properties
- Topological polar surface area
- 203 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 869
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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