Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N2C(CCCCn3nnnc3C)CCC2c2ccc(F)cc2)cc1- InChIKey
LNZSZVXDJHKBRS-UHFFFAOYSA-N- Molecular formula
- C23H28FN5O2S
- Average molar mass
- 457.6 g/mol
Names & identifiers
- Preferred name
- (2RS,5RS)-1-{4-[5-(4-Fluoro-phenyl)-1-(toluene-4-sulfonyl)-pyrrolidin-2-yl]-butyl}-5-methyl-1H-tetrazole
- IUPAC
- 1-[4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butyl]-5-methyltetrazole
Names & synonyms
SCHEMBL5886088LNZSZVXDJHKBRS-UHFFFAOYSA-N(2RS,5RS)-1-{4-[5-(4-Fluoro-phenyl)-1-(toluene-4-sulfonyl)-pyrrolidin-2-yl]-butyl}-5-methyl-1H-tetrazole
Database identifiers
- PubChem CID
- 22250511
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 689
Related reactions
3 records
Compound notes
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