Basic information
- Standard SMILES
CC(C)(C)c1ccc(S(=O)(=O)N(CC(=O)O)c2ccc3ncccc3c2)cc1- InChIKey
NOBOFWNTUFFYNE-UHFFFAOYSA-N- Molecular formula
- C21H22N2O4S
- Average molar mass
- 398.5 g/mol
Names & identifiers
- Preferred name
- [(4-tert-Butyl-benzenesulfonyl)-quinolin-6-yl-amino]-acetic acid
- IUPAC
- 2-[(4-tert-butylphenyl)sulfonyl-quinolin-6-ylamino]acetic acid
Names & synonyms
SCHEMBL1039268NOBOFWNTUFFYNE-UHFFFAOYSA-N[(4-tert-Butyl-benzenesulfonyl)-quinolin-6-yl-amino]-acetic acid
Database identifiers
- PubChem CID
- 58978463
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 644
Related reactions
26 records
Compound notes
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