Basic information
- Standard SMILES
COc1ccc(S(=O)(=O)n2ccc3cc(N4CCN(Cc5ccccc5)CC4)ccc32)cc1- InChIKey
VFZVWMPPFXEMTK-UHFFFAOYSA-N- Molecular formula
- C26H27N3O3S
- Average molar mass
- 461.6 g/mol
Names & identifiers
- Preferred name
- n-(4-Methoxybenzenesulfonyl)-5-(4-benzylpiperazin-1-yl)-indole
- IUPAC
- 5-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)sulfonylindole
Names & synonyms
SCHEMBL4309897VFZVWMPPFXEMTK-UHFFFAOYSA-Nn-(4-methoxybenzenesulfonyl)-5-(4-benzylpiperazin-1-yl)-indole
Database identifiers
- PubChem CID
- 22015348
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 720
Related reactions
2 records
Compound notes
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