Basic information
- Standard SMILES
CCC(C)[C@H]1CSC(=Nc2ccc(Cl)c(C(F)(F)F)c2)N1CC(C)C- InChIKey
UXFIOVAUSMTRLY-PVQCJRHBSA-N- Molecular formula
- C18H24ClF3N2S
- Average molar mass
- 392.9 g/mol
- Monoisotopic mass
- 392.1300821
Names & identifiers
- Preferred name
- (4S)-2-(4-chloro-3-(trifluoromethyl)phenylimino)-4-(2-butyl)-3-isobutyl-1,3-thiazolidine
- IUPAC
- (4S)-4-butan-2-yl-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine
Names & synonyms
(4S)-2-(4-chloro-3-(trifluoromethyl)phenylimino)-4-(2-butyl)-3-isobutyl-1,3-thiazolidineSCHEMBL7116918
Database identifiers
- PubChem CID
- 59113045
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 470
Related reactions
1 records
Compound notes
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