Basic information
- Standard SMILES
C[C@@H](SC(=S)Nc1ccc(Cl)cc1Cl)[C@](O)(Cn1cncn1)c1ccc(F)cc1F- InChIKey
UUFUYQHJZIAAOR-NSPYISDASA-N- Molecular formula
- C19H16Cl2F2N4OS2
- Average molar mass
- 489.4 g/mol
- Monoisotopic mass
- 488.0110652
Names & identifiers
- Preferred name
- [(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butyl] N-(2,4-dichlorophenyl)dithiocarbamate
- IUPAC
- [(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl] N-(2,4-dichlorophenyl)carbamodithioate
Names & synonyms
SCHEMBL9127463UUFUYQHJZIAAOR-NSPYISDASA-N[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butyl] N-(2,4-dichlorophenyl)dithiocarbamate
Database identifiers
- PubChem CID
- 54372553
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 599
Related reactions
1 records
Compound notes
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