2-Hydroxymethyl-4-{5-[1-(4-hydroxy-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-4-oxo-4,5-dihydro-thiazol-2-yl}-piperazine-1-carboxylic acid tert-butyl ester
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc4c(cnn4Cc4ccc(O)cc4C(F)(F)F)c3)S2)CC1CO- InChIKey
WZTPJAMGPMNMJR-UHFFFAOYSA-N- Molecular formula
- C29H30F3N5O5S
- Average molar mass
- 617.6 g/mol
Names & identifiers
- Preferred name
- 2-Hydroxymethyl-4-{5-[1-(4-hydroxy-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-4-oxo-4,5-dihydro-thiazol-2-yl}-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 2-(hydroxymethyl)-4-[5-[[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperazine-1-carboxylate
Names & synonyms
WZTPJAMGPMNMJR-UHFFFAOYSA-N2-Hydroxymethyl-4-{5-[1-(4-hydroxy-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-4-oxo-4,5-dihydro-thiazol-2-yl}-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 77253239
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
2 records
Compound notes
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