Basic information
- Standard SMILES
CC(C)C[C@H](N[S@@](=O)C(C)(C)C)c1cnc(-c2ccc(C(F)(F)F)cc2)nc1- InChIKey
ONRZXWMNVITSDB-HPGBDJQBSA-N- Molecular formula
- C20H26F3N3OS
- Average molar mass
- 413.5 g/mol
Names & identifiers
- Preferred name
- (S)-2-methyl-propane-2-sulfinic acid {(S)-3-methyl-1-[2-(4-trifluoromethyl-phenyl)-pyrimidin-5-yl]-butyl}-amide
- IUPAC
- (S)-2-methyl-N-[(1S)-3-methyl-1-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]butyl]propane-2-sulfinamide
Names & synonyms
(S)-2-methyl-propane-2-sulfinic acid {(S)-3-methyl-1-[2-(4-trifluoromethyl-phenyl)-pyrimidin-5-yl]-butyl}-amide
Database identifiers
- PubChem CID
- 68062003
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 506
Related reactions
5 records
Compound notes
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