Basic information
- Standard SMILES
Cc1csc(Nc2ncc(Br)cc2OC2CCN(C(=O)OC(C)(C)C)C2)n1- InChIKey
WAHQJUDHIBKXEU-UHFFFAOYSA-N- Molecular formula
- C18H23BrN4O3S
- Average molar mass
- 455.4 g/mol
- Monoisotopic mass
- 454.06742
Names & identifiers
- Preferred name
- Tert-butyl 3-(5-bromo-2-(4-methylthiazol-2-ylamino)pyridin-3-yloxy)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-[[5-bromo-2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL1327782WAHQJUDHIBKXEU-UHFFFAOYSA-Ntert-butyl 3-(5-bromo-2-(4-methylthiazol-2-ylamino)pyridin-3-yloxy)pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 24764797
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 521
Related reactions
6 records
Compound notes
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