Basic information
- Standard SMILES
COc1ccc(Nc2nc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)n3n2)cc1- InChIKey
GNYIGMZJKXOFTL-UHFFFAOYSA-N- Molecular formula
- C24H25N5O3S
- Average molar mass
- 463.6 g/mol
Names & identifiers
- Preferred name
- 5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}-N-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine
- IUPAC
- 5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Names & synonyms
SCHEMBL2640619CHEMBL3642324BDBM99596GNYIGMZJKXOFTL-UHFFFAOYSA-NUS8501936, 955-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}-N-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine
Database identifiers
- PubChem CID
- 59612337
- ChEMBL
CHEMBL3642324
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 717
Related reactions
3 records
Compound notes
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