3-[[4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-3-methoxyphenyl]methylcarbamoyl]benzenesulfonyl fluoride;sulfuric acid
Basic information
- CAS
25313-35-3- Standard SMILES
COc1cc(CNC(=O)c2cccc(S(=O)(=O)F)c2)ccc1OCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1.O=S(=O)(O)O- InChIKey
HVUOTTGBJKEILZ-UHFFFAOYSA-N- Molecular formula
- C26H24Cl2FN5O9S2
- Average molar mass
- 704.5 g/mol
- Monoisotopic mass
- 703.0376533
Names & identifiers
- Preferred name
- 3-[[4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-3-methoxyphenyl]methylcarbamoyl]benzenesulfonyl fluoride;sulfuric acid
- IUPAC
- 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-3-methoxyphenyl]methylcarbamoyl]benzenesulfonyl fluoride;sulfuric acid
Names & synonyms
25313-35-3NSC121529DTXSID20329422NSC-121529Sulfuric acid--3-{[(4-{[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}-3-methoxyphenyl)methyl]carbamoyl}benzene-1-sulfonyl fluoride (1/1)
Database identifiers
- CAS
25313-35-3- PubChem CID
- 420190
- DTXSID
DTXSID20329422
Properties
Computed structural properties
- Topological polar surface area
- 251 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 9
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…