Basic information
- Standard SMILES
C[C@@H](SC(CO)CO)[C@](O)(Cn1cncn1)c1ccccc1F- InChIKey
AUGLFSZEINXYOI-IAQYHMDHSA-N- Molecular formula
- C15H20FN3O3S
- Average molar mass
- 341.4 g/mol
Names & identifiers
- Preferred name
- (2R,3R)-2-(2-Fluorophenyl)-3-[[1-(hydroxymethyl)-2-hydroxyethyl]thio]-1-(1H-1,2,4-triazol-1-yl)-2-butanol
- IUPAC
- 2-[(2R,3R)-3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanylpropane-1,3-diol
Names & synonyms
SCHEMBL6946209AUGLFSZEINXYOI-IAQYHMDHSA-N(2R,3R)-2-(2-Fluorophenyl)-3-[[1-(hydroxymethyl)-2-hydroxyethyl]thio]-1-(1H-1,2,4-triazol-1-yl)-2-butanol
Database identifiers
- PubChem CID
- 69944239
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 365
Related reactions
2 records
Compound notes
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