Basic information
- Standard SMILES
CCCCOC(=O)C1N(S(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc2C1(O)C1CCCCC1- InChIKey
QZBMWGWXKFPVDA-UHFFFAOYSA-N- Molecular formula
- C26H32ClNO5S
- Average molar mass
- 506.1 g/mol
Names & identifiers
- Preferred name
- Butyl 5-chloro-3-cyclohexyl-3-hydroxy-1-tosylindoline-2-carboxylate
- IUPAC
- butyl 5-chloro-3-cyclohexyl-3-hydroxy-1-(4-methylphenyl)sulfonyl-2H-indole-2-carboxylate
Names & synonyms
SCHEMBL8989904QZBMWGWXKFPVDA-UHFFFAOYSA-NButyl 5-chloro-3-cyclohexyl-3-hydroxy-1-tosylindoline-2-carboxylate
Database identifiers
- PubChem CID
- 23368697
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 802
Related reactions
5 records
Compound notes
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