Basic information
- Standard SMILES
O=C(O)CCc1csc(Nc2ncc(Br)cc2Oc2ccccc2)n1- InChIKey
WCTYIKLFEZDBAD-UHFFFAOYSA-N- Molecular formula
- C17H14BrN3O3S
- Average molar mass
- 420.3 g/mol
Names & identifiers
- Preferred name
- 3-(2-(5-Bromo-3-phenoxypyridin-2-ylamino)thiazol-4-yl)propanoic acid
- IUPAC
- 3-[2-[(5-bromo-3-phenoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]propanoic acid
Names & synonyms
SCHEMBL1330986WCTYIKLFEZDBAD-UHFFFAOYSA-N3-(2-(5-bromo-3-phenoxypyridin-2-ylamino)thiazol-4-yl)-propanoic acid3-(2-(5-bromo-3-phenoxypyridin-2-ylamino)thiazol-4-yl)propanoic acid
Database identifiers
- PubChem CID
- 57742671
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 439
Related reactions
18 records
Compound notes
Loading…