3-[[4-[[2-(Benzylamino)-1-ethylbenzimidazol-5-yl]-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide
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Basic information
- Standard SMILES
CCn1c(NCc2ccccc2)nc2cc(N(C)c3ccnc(Nc4cccc(S(N)(=O)=O)c4)n3)ccc21- InChIKey
YQIONXKHSYVTQK-UHFFFAOYSA-N- Molecular formula
- C27H28N8O2S
- Average molar mass
- 528.6 g/mol
- Monoisotopic mass
- 528.20559334
Names & identifiers
- Preferred name
- 3-[[4-[[2-(Benzylamino)-1-ethylbenzimidazol-5-yl]-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide
- IUPAC
- 3-[[4-[[2-(benzylamino)-1-ethylbenzimidazol-5-yl]-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide
Names & synonyms
SCHEMBL4981681
Database identifiers
- PubChem CID
- 10312017
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 851
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Related reactions
1 records
Compound notes
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