1-(4-Benzylpiperidin-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-one
Basic information
- CAS
505056-02-0- Standard SMILES
CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCC(Cc2ccccc2)CC1- InChIKey
RJNLOPGPHHQCRM-UHFFFAOYSA-N- Molecular formula
- C26H26F3N3OS
- Average molar mass
- 485.6 g/mol
Names & identifiers
- Preferred name
- 1-(4-Benzylpiperidin-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-one
- IUPAC
- 1-(4-benzylpiperidin-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-one
- English name
- 2-(4-benzyl-1-piperidinyl)-1-methyl-2-oxoethyl 4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl sulfide
- Molecular formula
- C26H26F3N3OS
- Molecular weight
- 485.5643496
Names & synonyms
AKOS000557162AKOS0220638471-(4-benzylpiperidin-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-oneST50270127AN-329/422858651-[4-benzylpiperidyl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-ylthio]propan -1-one1-(4-benzylpiperidin-1-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propan-1-one2-(4-benzyl-1-piperidinyl)-1-methyl-2-oxoethyl 4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl sulfide
Database identifiers
- CAS
505056-02-0
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 644
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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