Basic information
- Standard SMILES
COc1ccc(CN(c2nc(SC)nn3c(Br)cnc23)C2CC2)cc1- InChIKey
RDEINZACAWCCAJ-UHFFFAOYSA-N- Molecular formula
- C17H18BrN5OS
- Average molar mass
- 420.3 g/mol
Names & identifiers
- Preferred name
- 7-bromo-N-cyclopropyl-N-(4-methoxybenzyl)-2-(methylthio)imidazo[2,1-f][1,2,4]triazin-4-amine
- IUPAC
- 7-bromo-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-4-amine
Names & synonyms
SCHEMBL15408827RDEINZACAWCCAJ-UHFFFAOYSA-N7-bromo-N-cyclopropyl-N-(4-methoxybenzyl)-2-(methylthio)imidazo[2,1-f][1,2,4]triazin-4-amine
Database identifiers
- PubChem CID
- 86708490
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 449
Related reactions
2 records
Compound notes
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