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Basic information
- Standard SMILES
CS(=O)(=O)NN1C(=O)S/C(=C\c2ccc3c(c2)c(C#N)nn3Cc2ccc(C(F)(F)F)cc2C(F)(F)F)C1=O- InChIKey
XCFXSVAESXJUDK-WSVATBPTSA-N- Molecular formula
- C22H13F6N5O4S2
- Average molar mass
- 589.5 g/mol
- Monoisotopic mass
- 589.03131523
Names & identifiers
- Preferred name
- N-[(5Z)-5-({1-[2,4-Bis(trifluoromethyl)benzyl]-3-cyano-1H-indazol-5-yl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]methanesulfonamide
- IUPAC
- N-[(5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-cyanoindazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methanesulfonamide
Names & synonyms
N-[(5Z)-5-({1-[2,4-Bis(trifluoromethyl)benzyl]-3-cyano-1H-indazol-5-yl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]methanesulfonamideSCHEMBL12067493
Database identifiers
- PubChem CID
- 58530438
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
1 records
Compound notes
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