Basic information
- CAS
25766-00-1- Standard SMILES
Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(CCC2CCCN(Cc3cccc(S(=O)(=O)F)c3)C2)n1- InChIKey
VQVZMWZZBPJWGN-UHFFFAOYSA-N- Molecular formula
- C24H26Cl2FN5O2S
- Average molar mass
- 538.5 g/mol
- Monoisotopic mass
- 537.1168298
Names & identifiers
- Preferred name
- 3-[(3-{2-[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl}piperidin-1-yl)methyl]benzene-1-sulfonyl fluoride
- IUPAC
- 3-[[3-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]piperidin-1-yl]methyl]benzenesulfonyl fluoride
Names & synonyms
25766-00-1DTXSID60712612NSC127156NSC-1271563-[(3-{2-[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl}piperidin-1-yl)methyl]benzene-1-sulfonyl fluoride
Database identifiers
- CAS
25766-00-1- PubChem CID
- 54599005
- DTXSID
DTXSID60712612
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 790
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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