Basic information
- Standard SMILES
CC(C)(Sc1ccccc1-c1ccc(C2CC2)nc1)C(=O)O- InChIKey
XUPUSBORHJAFJF-UHFFFAOYSA-N- Molecular formula
- C18H19NO2S
- Average molar mass
- 313.4 g/mol
Names & identifiers
- Preferred name
- 2-(2-(6-Cyclopropylpyridin-3-yl)phenylthio)-2-methylpropanoic Acid
- IUPAC
- 2-[2-(6-cyclopropyl-3-pyridinyl)phenyl]sulfanyl-2-methylpropanoic acid
Names & synonyms
SCHEMBL9994258XUPUSBORHJAFJF-UHFFFAOYSA-N2-(2-(6-Cyclopropylpyridin-3-yl)phenylthio)-2-methylpropanoic Acid
Database identifiers
- PubChem CID
- 68001060
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 408
Related reactions
1 records
Compound notes
Loading…