Basic information
- Standard SMILES
Cn1cnc(S(=O)(=O)NCCOc2cccc(C3(Cc4ccccc4)CNC3)c2)c1- InChIKey
QGSIOHCMIXWVQS-UHFFFAOYSA-N- Molecular formula
- C22H26N4O3S
- Average molar mass
- 426.5 g/mol
Names & identifiers
- Preferred name
- N-(2-(3-(3-benzylazetidin-3-yl)phenoxy)ethyl)-1-methyl-1H-imidazole-4-sulfonamide
- IUPAC
- N-[2-[3-(3-benzylazetidin-3-yl)phenoxy]ethyl]-1-methylimidazole-4-sulfonamide
Names & synonyms
SCHEMBL627042CHEMBL4107214QGSIOHCMIXWVQS-UHFFFAOYSA-NBDBM202315US9238619, 51N-(2-(3-(3-benzylazetidin-3-yl)phenoxy)ethyl)-1-methyl-1H-imidazole-4-sulfonamide
Database identifiers
- PubChem CID
- 56835964
- ChEMBL
CHEMBL4107214
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 643
Related reactions
2 records
Compound notes
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