Basic information
- Standard SMILES
CCCCc1ccc(C#Cc2ccc(CN(Cc3ccc(OCC(=O)O)cc3)S(=O)(=O)CC)cc2)cc1- InChIKey
QOBZTVZLYWMVQN-UHFFFAOYSA-N- Molecular formula
- C30H33NO5S
- Average molar mass
- 519.7 g/mol
Names & identifiers
- Preferred name
- (4-{[{4-[(4-Butylphenyl)ethynyl]benzyl}(ethylsulfonyl)amino]-methyl}phenoxy)acetic acid
- IUPAC
- 2-[4-[[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-ethylsulfonylamino]methyl]phenoxy]acetic acid
Names & synonyms
SCHEMBL1813162QOBZTVZLYWMVQN-UHFFFAOYSA-N(4-{[{4-[(4-butylphenyl)ethynyl]benzyl}(ethylsulfonyl)amino]-methyl}phenoxy)acetic acid
Database identifiers
- PubChem CID
- 11627757
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 845
Related reactions
2 records
Compound notes
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