Basic information
- Standard SMILES
CC(C)(CC(=O)O)S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1- InChIKey
FLWOQBKXQMASFI-SSEXGKCCSA-N- Molecular formula
- C33H36ClNO4S
- Average molar mass
- 578.2 g/mol
Names & identifiers
- Preferred name
- 3-((1(R)-(3-((7-chloro-2-quinolinyl)methoxy)phenyl)-3-(2-(2-hydroxy-2-propyl)phenyl)-propyl)thio)-3-methylbutanoic acid
- IUPAC
- 3-[(1R)-1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl-3-methylbutanoic acid
Names & synonyms
SCHEMBL9117941FLWOQBKXQMASFI-SSEXGKCCSA-N3-((1(R)-(3-((7-chloro-2-quinolinyl)methoxy)phenyl)-3-(2-(2-hydroxy-2-propyl)phenyl)-propyl)thio)-3-methylbutanoic acid
Database identifiers
- PubChem CID
- 22848857
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 809
Related reactions
1 records
Compound notes
Loading…