4-[3-[3-(6-amino-7H-purin-8-yl)anilino]-3-oxopropyl]benzenesulfonyl fluoride
Basic information
- CAS
42447-69-8- Standard SMILES
Nc1ncnc2nc(-c3cccc(NC(=O)CCc4ccc(S(=O)(=O)F)cc4)c3)[nH]c12- InChIKey
BCKJKYZHYFOKTK-UHFFFAOYSA-N- Molecular formula
- C20H17FN6O3S
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.10668776
Names & identifiers
- Preferred name
- 4-[3-[3-(6-amino-7H-purin-8-yl)anilino]-3-oxopropyl]benzenesulfonyl fluoride
- IUPAC
- 4-[3-[3-(6-amino-7H-purin-8-yl)anilino]-3-oxopropyl]benzenesulfonyl fluoride
Names & synonyms
42447-69-84-[3-[3-(6-amino-7H-purin-8-yl)anilino]-3-oxopropyl]benzenesulfonyl fluorideDTXSID50398166NSC210339NSC-210339DS-0147564-[2-[[3-(6-Amino-5h-purin-8-yl)phenyl]carbamoyl]ethyl]benzenesulfonyl fluoride4-{3-[3-(6-Amino-7H-purin-8-yl)anilino]-3-oxopropyl}benzene-1-sulfonyl fluoride
Database identifiers
- CAS
42447-69-8- PubChem CID
- 3947902
- DTXSID
DTXSID50398166
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 727
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…