3-[2-[4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]ethylcarbamoylamino]benzenesulfonyl fluoride; sulfuric acid
Basic information
- CAS
25288-29-3- Standard SMILES
Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(COc2ccc(CCNC(=O)Nc3cccc(S(=O)(=O)F)c3)cc2)n1.O=S(=O)(O)O- InChIKey
DJFNPRLOKWIIJI-UHFFFAOYSA-N- Molecular formula
- C26H25Cl2FN6O8S2
- Average molar mass
- 703.5 g/mol
- Monoisotopic mass
- 702.0536377
Names & identifiers
- Preferred name
- 3-[2-[4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]ethylcarbamoylamino]benzenesulfonyl fluoride; sulfuric acid
- IUPAC
- 3-[2-[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]ethylcarbamoylamino]benzenesulfonyl fluoride;sulfuric acid
Names & synonyms
25288-29-3NSC1215323-[2-[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]ethylcarbamoylamino]benzenesulfonyl fluoride; sulfuric acidDTXSID00329425NSC-121532Sulfuric acid--3-({[2-(4-{[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)ethyl]carbamoyl}amino)benzene-1-sulfonyl fluoride (1/1)
Database identifiers
- CAS
25288-29-3- PubChem CID
- 420196
- DTXSID
DTXSID00329425
Properties
Computed structural properties
- Topological polar surface area
- 254 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 9
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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