Basic information
- Standard SMILES
COc1nc(Br)cn2nc(S(=O)(=O)Nc3c(C)ccnc3F)nc12- InChIKey
DCKLXRVXUXSJRG-UHFFFAOYSA-N- Molecular formula
- C12H10BrFN6O3S
- Average molar mass
- 417.22 g/mol
- Monoisotopic mass
- 415.97025
Names & identifiers
- Preferred name
- N-(2-Fluoro-4-methyl-3-pyridinyl)-6-bromo-8-methoxy[1,2,4]triazolo[1,5-a]pyrazine-2-sulfonamide
- IUPAC
- 6-bromo-N-(2-fluoro-4-methyl-3-pyridinyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyrazine-2-sulfonamide
Names & synonyms
SCHEMBL8826015DCKLXRVXUXSJRG-UHFFFAOYSA-NN-(2-Fluoro-4-methyl-3-pyridinyl)-6-bromo-8-methoxy[1,2,4]triazolo[1,5-a]pyrazine-2-sulfonamide
Database identifiers
- PubChem CID
- 19975246
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 551
Related reactions
1 records
Compound notes
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