2-[1-[[6-amino-5-(4-methylsulfonylphenyl)pyrimidin-4-yl]amino]ethyl]-3-cyclopropyl-N-methylbenzimidazole-4-carboxamide
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Basic information
- Standard SMILES
CNC(=O)c1cccc2nc(C(C)Nc3ncnc(N)c3-c3ccc(S(C)(=O)=O)cc3)n(C3CC3)c12- InChIKey
GSOULDKYUACMJO-UHFFFAOYSA-N- Molecular formula
- C25H27N7O3S
- Average molar mass
- 505.6 g/mol
Names & identifiers
- Preferred name
- 2-[1-[[6-amino-5-(4-methylsulfonylphenyl)pyrimidin-4-yl]amino]ethyl]-3-cyclopropyl-N-methylbenzimidazole-4-carboxamide
- IUPAC
- 2-[1-[[6-amino-5-(4-methylsulfonylphenyl)pyrimidin-4-yl]amino]ethyl]-3-cyclopropyl-N-methylbenzimidazole-4-carboxamide
Database identifiers
- PubChem CID
- 76044448
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 887
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Related reactions
1 records
Compound notes
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