(6-Chloro-1-methanesulfonyl-1H-indol-3-yl)-[4-(2-methoxy-phenyl)-piperidin-1-yl]-methanone
Basic information
- Standard SMILES
COc1ccccc1C1CCN(C(=O)c2cn(S(C)(=O)=O)c3cc(Cl)ccc23)CC1- InChIKey
CRLSCGRYMWTVHK-UHFFFAOYSA-N- Molecular formula
- C22H23ClN2O4S
- Average molar mass
- 446.9 g/mol
- Monoisotopic mass
- 446.1067061
Names & identifiers
- Preferred name
- (6-Chloro-1-methanesulfonyl-1H-indol-3-yl)-[4-(2-methoxy-phenyl)-piperidin-1-yl]-methanone
- IUPAC
- (6-chloro-1-methylsulfonylindol-3-yl)-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
Names & synonyms
SCHEMBL613286CRLSCGRYMWTVHK-UHFFFAOYSA-N(6-Chloro-1-methanesulfonyl-1H-indol-3-yl)-[4-(2-methoxy-phenyl)-piperidin-1-yl]-methanone
Database identifiers
- PubChem CID
- 59429613
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 719
Related reactions
2 records
Compound notes
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