Basic information
- Standard SMILES
CC1=C(CCO)c2cc(N(C)C)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1- InChIKey
YWAJBIVBUJGBBI-BKUYFWCQSA-N- Molecular formula
- C22H25NO3S
- Average molar mass
- 383.5 g/mol
Names & identifiers
- Preferred name
- (Z)-1-(4-methylsulfonylbenzylidene)-5-dimethylamino-2-methyl-1H-3-indenyl-(2-hydroxy)ethane
- IUPAC
- 2-[(3Z)-6-(dimethylamino)-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanol
Names & synonyms
SCHEMBL8154633YWAJBIVBUJGBBI-BKUYFWCQSA-N(Z)-1-(4-methylsulfonylbenzylidene)-5-dimethylamino-2-methyl-1H-3-indenyl-(2-hydroxy)ethane
Database identifiers
- PubChem CID
- 70289986
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 694
Related reactions
1 records
Compound notes
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