Basic information
- Standard SMILES
O=C(c1ccc(-n2cc(-c3n[nH]c4ccc(Br)cc34)nn2)cc1)N1CCOCC1- InChIKey
UMKSBTFGSOINQT-UHFFFAOYSA-N- Molecular formula
- C20H17BrN6O2
- Average molar mass
- 453.3 g/mol
Names & identifiers
- Preferred name
- 5-bromo-3-{1-[4-(morpholin-4-ylcarbonyl)phenyl]-1H-1,2,3-triazol-4-yl}-1H-indazole
- IUPAC
- [4-[4-(5-bromo-1H-indazol-3-yl)triazol-1-yl]phenyl]-morpholin-4-ylmethanone
Names & synonyms
SCHEMBL9951916UMKSBTFGSOINQT-UHFFFAOYSA-N{4-[4-(5-Bromo-1H-indazol-3-yl)-[1,2,3]triazol-1-yl]-phenyl}-morpholin-4-yl-methanone5-bromo-3-{1-[4-(morpholin-4-ylcarbonyl)phenyl]-1H-1,2,3-triazol-4-yl}-1H-indazole
Database identifiers
- PubChem CID
- 57404658
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 583
Related reactions
5 records
Compound notes
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