N-[3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]prop-2-ynyl]methanesulfonamide
Basic information
- Standard SMILES
Cc1ccc2nc(-c3nc(C#CCNS(C)(=O)=O)cnc3N)[nH]c2c1- InChIKey
PJJQGSMSLCDRRV-UHFFFAOYSA-N- Molecular formula
- C16H16N6O2S
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.10554495
Names & identifiers
- Preferred name
- N-[3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]prop-2-ynyl]methanesulfonamide
- IUPAC
- N-[3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]prop-2-ynyl]methanesulfonamide
Names & synonyms
SCHEMBL560357PJJQGSMSLCDRRV-UHFFFAOYSA-NN-[3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]prop-2-ynyl]methanesulfonamide
Database identifiers
- PubChem CID
- 54597013
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 636
Related reactions
1 records
Compound notes
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