Basic information
- Standard SMILES
CC1=C(CC(=O)O)c2cc(N(C)C)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1- InChIKey
AFQOYUXPFRYVOB-ODLFYWEKSA-N- Molecular formula
- C22H23NO4S
- Average molar mass
- 397.5 g/mol
Names & identifiers
- Preferred name
- (Z)-1-(p-methylsulfonylbenzylidene)-5-dimethylamino-2-methyl-3-indenylacetic acid
- IUPAC
- 2-[(3Z)-6-(dimethylamino)-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid
Names & synonyms
SCHEMBL8148425AFQOYUXPFRYVOB-ODLFYWEKSA-N(Z)-1-(p-methylsulfonylbenzylidene)-5-dimethylamino-2-methyl-3-indenylacetic acid
Database identifiers
- PubChem CID
- 70288307
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 767
Related reactions
2 records
Compound notes
Loading…