Basic information
- Standard SMILES
Cn1nnc(-c2ccc(S(=O)(=O)C3CCN(CCc4ccc(F)cc4F)CC3)cc2)n1- InChIKey
ZRDHJKGZEBMIBD-UHFFFAOYSA-N- Molecular formula
- C21H23F2N5O2S
- Average molar mass
- 447.5 g/mol
Names & identifiers
- Preferred name
- 1-[2-(2,4-Difluorophenyl)ethyl]-4-[4-(2-methyltetrazol-5-yl)-phenylsulphonyl]piperidine
- IUPAC
- 1-[2-(2,4-difluorophenyl)ethyl]-4-[4-(2-methyltetrazol-5-yl)phenyl]sulfonylpiperidine
Names & synonyms
SCHEMBL6586878ZRDHJKGZEBMIBD-UHFFFAOYSA-NL0199521-[2-(2,4-Difluorophenyl)ethyl]-4-[4-(2-methyltetrazol-5-yl)-phenylsulphonyl]piperidine2-(2.4-Difluorophenyl)ethyl -4-[4-(2-methyltetrazol-5-yl)-phenylsulphonyl]piperidine
Database identifiers
- PubChem CID
- 23499485
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 678
Related reactions
3 records
Compound notes
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