Basic information
- Standard SMILES
N#Cc1csc(-c2csc(C(O)(Cn3cncn3)c3ccc(F)cc3F)c2)n1- InChIKey
QDUFWRKHMYXGBV-UHFFFAOYSA-N- Molecular formula
- C18H11F2N5OS2
- Average molar mass
- 415.4 g/mol
Names & identifiers
- Preferred name
- 1-(2,4-difluorophenyl)-1-(4-(4-cyanothiazol-2-yl)-thiophen-2-yl)-2-(1H-1,2,4-triazol-1-yl)ethanol
- IUPAC
- 2-[5-[1-(2,4-difluorophenyl)-1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]thiophen-3-yl]-1,3-thiazole-4-carbonitrile
Names & synonyms
SCHEMBL6630503QDUFWRKHMYXGBV-UHFFFAOYSA-N1-(2,4-difluorophenyl)-1-(4-(4-cyano-thiazol-2-yl)-thiophen-2-yl)-2-(1H-1,2,4-triazol-1-yl)ethanol1-(2,4-difluorophenyl)-1-(4-(4-cyanothiazol-2-yl)-thiophen-2 yl)-2-(1H-1,2,4-triazol-1-yl)ethanol1-(2,4-difluorophenyl)-1-(4-(4-cyanothiazol-2-yl)-thiophen-2-yl)-2-(1H-1,2,4-triazol-1-yl)ethanol
Database identifiers
- PubChem CID
- 19065151
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 610
Related reactions
7 records
Compound notes
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