Basic information
- CAS
25288-36-2- Standard SMILES
Cc1ccc(NC(=O)NCc2ccc(OCc3nc(N)nc(N)c3-c3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1S(=O)(=O)F.O=S(=O)(O)O- InChIKey
DRJKOQWZRCYMLC-UHFFFAOYSA-N- Molecular formula
- C26H24Cl3FN6O8S2
- Average molar mass
- 738 g/mol
- Monoisotopic mass
- 736.014665
Names & identifiers
- Preferred name
- 5-[[3-Chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;sulfuric acid
- IUPAC
- 5-[[3-chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;sulfuric acid
Names & synonyms
NSC12303425288-36-2DTXSID80329443NSC-123034Sulfuric acid--5-({[(3-chloro-4-{[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)methyl]carbamoyl}amino)-2-methylbenzene-1-sulfonyl fluoride (1/1)
Database identifiers
- CAS
25288-36-2- PubChem CID
- 420344
- DTXSID
DTXSID80329443
Properties
Computed structural properties
- Topological polar surface area
- 254 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 8
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…