Basic information
- Standard SMILES
Cc1c(-c2cccnc2)n(Cc2ccc(S(C)(=O)=O)cc2)c2ccccc12- InChIKey
WKATZBSWWNWVEZ-UHFFFAOYSA-N- Molecular formula
- C22H20N2O2S
- Average molar mass
- 376.5 g/mol
Names & identifiers
- Preferred name
- 1-(4-methanesulfonyl-benzyl)-3-methyl-2-pyridin-3-yl-1H-indole
- IUPAC
- 3-methyl-1-[(4-methylsulfonylphenyl)methyl]-2-pyridin-3-ylindole
Names & synonyms
SCHEMBL1605498SCHEMBL30385577WKATZBSWWNWVEZ-UHFFFAOYSA-N1-(4-methanesulfonyl-benzyl)-3-methyl-2-pyridin-3-yl-1H-indole
Database identifiers
- PubChem CID
- 44554309
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 594
Related reactions
4 records
Compound notes
Loading…