Basic information
- Standard SMILES
C[C@@H](N1CC=C(c2ccc(F)cn2)CC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F- InChIKey
GRFQHKDHKCVTBU-IVZQSRNASA-N- Molecular formula
- C22H22F3N5O
- Average molar mass
- 429.4 g/mol
- Monoisotopic mass
- 429.17764483
Names & identifiers
- Preferred name
- (2R,3R)-2-(2,4-difluorophenyl)-3-(5-fluoro-3',6'-dihydro-2,4'-bipyridin-1'(2'H)-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
- IUPAC
- (2R,3R)-2-(2,4-difluorophenyl)-3-[4-(5-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
Names & synonyms
SCHEMBL2171287GRFQHKDHKCVTBU-IVZQSRNASA-N(2R,3R)-2-(2,4-difluorophenyl)-3-(5-fluoro-3',6'-dihydro-2, 4'-bipyridin-1'(2'H)-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol(2R,3R)-2-(2,4-difluorophenyl)-3-(5-fluoro-3',6'-dihydro-2,4'-bipyridin-1'(2'H)-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
Database identifiers
- PubChem CID
- 44538712
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 640
Related reactions
1 records
Compound notes
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