(Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3-hydroxy-3-methylazetidin-1-yl)prop-2-en-1-one
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Basic information
- Standard SMILES
CC1(O)CN(C(=O)/C=C\n2cnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1- InChIKey
UYWSKZVRAPNDDS-IHWYPQMZSA-N- Molecular formula
- C17H14F6N4O2
- Average molar mass
- 420.31 g/mol
Names & identifiers
- Preferred name
- (Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3-hydroxy-3-methylazetidin-1-yl)prop-2-en-1-one
- IUPAC
- (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(3-hydroxy-3-methylazetidin-1-yl)prop-2-en-1-one
Names & synonyms
(Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3-hydroxy-3-methylazetidin-1-yl)prop-2-en-1-oneSCHEMBL14677892
Database identifiers
- PubChem CID
- 89401930
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 625
Related reactions
1 records
Compound notes
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