Basic information
- Standard SMILES
CSC(Oc1ccc2ncc(Br)cc2c1)C(=O)NC(C)(C)CO- InChIKey
UMGJMJVVRNGUSO-UHFFFAOYSA-N- Molecular formula
- C16H19BrN2O3S
- Average molar mass
- 399.3 g/mol
Names & identifiers
- Preferred name
- 2-(3-bromo-quinolin-6-yloxy)-N-(2-hydroxy-1,1-dimethyl-ethyl)-2-methylsulfanyl-acetamide
- IUPAC
- 2-(3-bromoquinolin-6-yl)oxy-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylsulfanylacetamide
Names & synonyms
SCHEMBL534860UMGJMJVVRNGUSO-UHFFFAOYSA-N2-(3-bromo-quinolin-6-yloxy)-N-(2-hydroxy-1,1-dimethyl-ethyl)-2-methylsulfanyl-acetamide
Database identifiers
- PubChem CID
- 66717870
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 411
Related reactions
4 records
Compound notes
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