4-{5-[1-(4-Chloro-2-trifluoromethylbenzyl)-1H-indazol-5-ylmethylene]-2,4-dioxothiazolidin-3-ylmethyl}-4-fluoropiperidine-1-carboxylic acid tert-butyl ester
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(F)(CN2C(=O)SC(=Cc3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)C2=O)CC1- InChIKey
BCGOQRKRMCVHIC-UHFFFAOYSA-N- Molecular formula
- C30H29ClF4N4O4S
- Average molar mass
- 653.1 g/mol
Names & identifiers
- Preferred name
- 4-{5-[1-(4-Chloro-2-trifluoromethylbenzyl)-1H-indazol-5-ylmethylene]-2,4-dioxothiazolidin-3-ylmethyl}-4-fluoropiperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[[5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]-4-fluoropiperidine-1-carboxylate
Names & synonyms
4-{5-[1-(4-Chloro-2-trifluoromethylbenzyl)-1H-indazol-5-ylmethylene]-2,4-dioxothiazolidin-3-ylmethyl}-4-fluoropiperidine-1-carboxylic acid tert-butyl esterSCHEMBL1693066
Database identifiers
- PubChem CID
- 86659664
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,140
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Related reactions
1 records
Compound notes
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