Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc4c(cnn4Cc4ccc(C(C)(C)O)cc4Cl)c3)S2)C[C@@H]1CO- InChIKey
VAXQOFRBDMBDRO-HSZRJFAPSA-N- Molecular formula
- C31H36ClN5O5S
- Average molar mass
- 626.2 g/mol
Names & identifiers
- Preferred name
- 4-(5-{1-[2-Chloro-4-(1-hydroxy-1-methyl-ethyl)-benzyl]-1H-indazol-5-ylmethylene}-4-oxo-4,5-dihydro-thiazol-2-yl)-2-(R)-hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (2R)-4-[5-[[1-[[2-chloro-4-(2-hydroxypropan-2-yl)phenyl]methyl]indazol-5-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]-2-(hydroxymethyl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL1992278VAXQOFRBDMBDRO-HSZRJFAPSA-N4-(5-{1-[2-Chloro-4-(1-hydroxy-1-methyl-ethyl)-benzyl]-1H-indazol-5-ylmethylene}-4-oxo-4,5-dihydro-thiazol-2-yl)-2-(R)-hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67240076
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
2 records
Compound notes
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