7-bromo-N-cyclopropyl-N-(4-methoxybenzyl)-2-(methylsulfonyl)imidazo[2,1-f][1,2,4]triazin-4-amine
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1ccc(CN(c2nc(S(C)(=O)=O)nn3c(Br)cnc23)C2CC2)cc1- InChIKey
YFMKEQCQPJRMOT-UHFFFAOYSA-N- Molecular formula
- C17H18BrN5O3S
- Average molar mass
- 452.3 g/mol
- Monoisotopic mass
- 451.03137
Names & identifiers
- Preferred name
- 7-bromo-N-cyclopropyl-N-(4-methoxybenzyl)-2-(methylsulfonyl)imidazo[2,1-f][1,2,4]triazin-4-amine
- IUPAC
- 7-bromo-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-methylsulfonylimidazo[2,1-f][1,2,4]triazin-4-amine
Names & synonyms
SCHEMBL15409571YFMKEQCQPJRMOT-UHFFFAOYSA-N7-bromo-N-cyclopropyl-N-(4-methoxybenzyl)-2-(methylsulfonyl)imidazo[2,1-f][1,2,4]triazin-4-amine
Database identifiers
- PubChem CID
- 89920184
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 621
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…