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Basic information
- Standard SMILES
CC[C@H]1CNC(=S)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl- InChIKey
VCUFNEXLSBWRFD-VIFPVBQESA-N- Molecular formula
- C14H14ClF3N2OS
- Average molar mass
- 350.8 g/mol
Names & identifiers
- Preferred name
- (6S)-1-(2-chloro-3-(trifluoromethyl)benzyl)-6-ethyl-3-thioxopiperazin-2-one
- IUPAC
- (6S)-1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-6-ethyl-3-sulfanylidenepiperazin-2-one
Names & synonyms
(6S)-1-(2-chloro-3-(trifluoromethyl)benzyl)-6-ethyl-3-thioxopiperazin-2-oneCHEMBL5879723SCHEMBL16027974BDBM246856US10053463, 6
Database identifiers
- PubChem CID
- 90402575
- ChEMBL
CHEMBL5879723
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 446
Related reactions
2 records
Compound notes
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