Basic information
- CAS
25313-44-4- Standard SMILES
COc1cc(CNC(=O)Nc2cccc(S(=O)(=O)F)c2)ccc1OCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1.O=S(=O)(O)O- InChIKey
GENMREMYSKFOPJ-UHFFFAOYSA-N- Molecular formula
- C26H25Cl2FN6O9S2
- Average molar mass
- 719.5 g/mol
- Monoisotopic mass
- 718.0485523
Names & identifiers
- Preferred name
- 3-[[4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-3-methoxyphenyl]methylcarbamoylamino]benzenesulfonyl fluoride;sulfuric acid
- IUPAC
- 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-3-methoxyphenyl]methylcarbamoylamino]benzenesulfonyl fluoride;sulfuric acid
Names & synonyms
NSC12347225313-44-4DTXSID70329457NSC-123472Sulfuric acid--3-({[(4-{[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}-3-methoxyphenyl)methyl]carbamoyl}amino)benzene-1-sulfonyl fluoride (1/1)
Database identifiers
- CAS
25313-44-4- PubChem CID
- 420428
- DTXSID
DTXSID70329457
Properties
Computed structural properties
- Topological polar surface area
- 263 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 9
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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