Basic information
- Standard SMILES
CC(CSC(=O)c1ccccc1)C(=O)N1c2ccccc2C(C)(C)C1C(=O)O- InChIKey
XVUBBOZVPQXRBN-UHFFFAOYSA-N- Molecular formula
- C22H23NO4S
- Average molar mass
- 397.5 g/mol
Names & identifiers
- Preferred name
- 1-(3-Benzoylthio-2-methylpropanoyl)-3,3-dimethylindoline-2-carboxylic acid
- IUPAC
- 1-(3-benzoylsulfanyl-2-methylpropanoyl)-3,3-dimethyl-2H-indole-2-carboxylic acid
Names & synonyms
SCHEMBL10909277XVUBBOZVPQXRBN-UHFFFAOYSA-N1-(3-benzoylthio-2-methylpropanoyl)-3,3-dimethylindoline-2-carboxylic acid
Database identifiers
- PubChem CID
- 23313847
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 614
Related reactions
2 records
Compound notes
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