Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(Cc2csc(Nc3ncc(Br)cc3Oc3ccc(F)cc3)n2)C(=O)C1- InChIKey
ZAJCUPIAEIZAET-UHFFFAOYSA-N- Molecular formula
- C24H25BrFN5O4S
- Average molar mass
- 578.5 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-((2-(5-bromo-3-(4-fluorophenoxy)pyridin-2-ylamino)thiazol-4-yl)methyl)-3-oxopiperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[[2-[[5-bromo-3-(4-fluorophenoxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]methyl]-3-oxopiperazine-1-carboxylate
Names & synonyms
SCHEMBL1330291ZAJCUPIAEIZAET-UHFFFAOYSA-Ntert-Butyl 4-((2-(5-bromo-3-(4-fluorophenoxy)pyridin-2-ylamino)thiazol-4-yl)methyl)-3-oxopiperazine-1-carboxylate
Database identifiers
- PubChem CID
- 57742856
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 769
Related reactions
6 records
Compound notes
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