2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-(2-fluorobenzyl)acetamide
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Basic information
- CAS
505092-30-8- Standard SMILES
COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NCc3ccccc3F)n2)cc1OC- InChIKey
IEMLQKMZKCJQEE-UHFFFAOYSA-N- Molecular formula
- C22H19F4N3O3S
- Average molar mass
- 481.5 g/mol
- Monoisotopic mass
- 481.1083253
Names & identifiers
- Preferred name
- 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-(2-fluorobenzyl)acetamide
- IUPAC
- 2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
- English name
- 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-(2-fluorobenzyl)acetamide
- Molecular formula
- C22H19F4N3O3S
- Molecular weight
- 481.4631728
Names & synonyms
2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-(2-fluorobenzyl)acetamideBAS 03613355AKOS000555603ST50272993AN-329/432110682-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[(2-fluorophenyl)methyl]acetamide2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]-N-[(2-fluoro phenyl)methyl]acetamide
Database identifiers
- CAS
505092-30-8- PubChem CID
- 1166049
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 630
Related reactions
0 records
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Compound notes
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