Basic information
- CAS
42447-68-7- Standard SMILES
Nc1ncnc2nc(-c3ccc(C(=O)c4cccc(NC(=O)c5ccc(S(=O)(=O)F)cc5)c4)cc3)[nH]c12- InChIKey
PTRUEFPCAGXHGV-UHFFFAOYSA-N- Molecular formula
- C25H17FN6O4S
- Average molar mass
- 516.5 g/mol
- Monoisotopic mass
- 516.10160238
Names & identifiers
- Preferred name
- 4-[[3-[4-(6-amino-7H-purin-8-yl)benzoyl]phenyl]carbamoyl]benzenesulfonyl fluoride
- IUPAC
- 4-[[3-[4-(6-amino-7H-purin-8-yl)benzoyl]phenyl]carbamoyl]benzenesulfonyl fluoride
Names & synonyms
42447-68-74-[[3-[4-(6-amino-7H-purin-8-yl)benzoyl]phenyl]carbamoyl]benzenesulfonyl fluoride4-((3-(4-(6-Amino-7H-purin-8-yl)benzoyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride4-({3-[4-(6-Amino-7H-purin-8-yl)benzoyl]phenyl}carbamoyl)benzene-1-sulfonyl fluorideNSC210354SCHEMBL5578426DTXSID60308892NSC-210354DS-005206
Database identifiers
- CAS
42447-68-7- PubChem CID
- 308537
- DTXSID
DTXSID60308892
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 932
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…