Basic information
- CAS
42447-70-1- Standard SMILES
Nc1ncnc2nc(-c3ccc(CNC(=O)c4cccc(S(=O)(=O)F)c4)cc3)[nH]c12- InChIKey
MBNJJIKEFZFEHE-UHFFFAOYSA-N- Molecular formula
- C19H15FN6O3S
- Average molar mass
- 426.4 g/mol
- Monoisotopic mass
- 426.0910377
Names & identifiers
- Preferred name
- 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride
- IUPAC
- 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride
Names & synonyms
42447-70-13-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluorideNSC210319DTXSID20308873NSC-210319DS-0046983-({[4-(6-Amino-7H-purin-8-yl)phenyl]methyl}carbamoyl)benzene-1-sulfonyl fluoride
Database identifiers
- CAS
42447-70-1- PubChem CID
- 308508
- DTXSID
DTXSID20308873
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 712
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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