4-(2-(1-(2-fluorobenzyl)-5-(thiazol-2-yl)-1H-1,2,4-triazol-3-yl)pyridin-4-yl)morpholine
Basic information
- Standard SMILES
Fc1ccccc1Cn1nc(-c2cc(N3CCOCC3)ccn2)nc1-c1nccs1- InChIKey
RGDZJQNGPDVYTD-UHFFFAOYSA-N- Molecular formula
- C21H19FN6OS
- Average molar mass
- 422.5 g/mol
Names & identifiers
- Preferred name
- 4-(2-(1-(2-fluorobenzyl)-5-(thiazol-2-yl)-1H-1,2,4-triazol-3-yl)pyridin-4-yl)morpholine
- IUPAC
- 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine
Names & synonyms
SCHEMBL4558946RGDZJQNGPDVYTD-UHFFFAOYSA-N4-(2-(1-(2-fluorobenzyl)-5-(thiazol-2-yl)-1H-1,2,4-triazol-3-yl)pyridin-4-yl)morpholine
Database identifiers
- PubChem CID
- 69092145
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 556
Related reactions
1 records
Compound notes
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