Basic information
- CAS
136067-88-4- Standard SMILES
CC(C)([C@](O)(Cn1cncn1)c1ccc(C(F)(F)F)cc1)S(C)(=O)=O- InChIKey
NZEBWFSFYQECNY-AWEZNQCLSA-N- Molecular formula
- C15H18F3N3O3S
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.1020971
Names & identifiers
- Preferred name
- (R)-3-Methyl-3-(methylsulfonyl)-1-(1h-1,2,4-triazol-1-yl)-2-(4-(trifluoromethyl)phenyl)butan-2-ol
- IUPAC
- (2R)-3-methyl-3-methylsulfonyl-1-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]butan-2-ol
Names & synonyms
(R)-3-Methyl-3-(methylsulfonyl)-1-(1h-1,2,4-triazol-1-yl)-2-(4-(trifluoromethyl)phenyl)butan-2-ol136067-87-3SSY726136067-88-4(2R)-3-methyl-3-methylsulfonyl-1-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]butan-2-ol(2R)-3-methanesulfonyl-3-methyl-1-(1H-1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]butan-2-ol(R)-1,1-Dimethyl-1-(methylsulfonyl)-3-(1,2,4-triazolyl)-2-(4-(trifluoromethyl)phenyl)propan-2-ol(-)-alpha-[1-Methyl-1-(methylsulfonyl)ethyl]-alpha-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-1-ethanol(R)-1,1-Dimethyl-1-(methylsulfonyl)-3-(1,2,4-triazolyl)-2-[4-(trifluoromethyl)phenyl]propan-2-olMFCD00950051SCHEMBL7871471C15H18F3N3O3S
Show more names
DTXSID00929247SSY 726NZEBWFSFYQECNY-AWEZNQCLSA-NAKOS037647754AS-74665W18507(-)--[1-Methyl-1-(methylsulfonyl)ethyl]--[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-1-ethanol(2R)-3-(Methanesulfonyl)-3-methyl-1-(1H-1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]butan-2-ol
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 569
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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