Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N2C(CCCc3nc(C)cc(C)n3)CCC2c2ccc(F)cc2)cc1- InChIKey
PWVRGRVOHCWZFY-UHFFFAOYSA-N- Molecular formula
- C26H30FN3O2S
- Average molar mass
- 467.6 g/mol
Names & identifiers
- Preferred name
- (2Rs,5rs)-2-{3-[5-(4-fluoro-phenyl)-1-(toluene-4-sulfonyl)-pyrrolidin-2-yl]-propyl}-4,6-dimethyl-pyrimidine
- IUPAC
- 2-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]-4,6-dimethylpyrimidine
Names & synonyms
SCHEMBL5885989PWVRGRVOHCWZFY-UHFFFAOYSA-N(2rs,5rs)-2-{3-[5-(4-fluoro-phenyl)-1-(toluene-4-sulfonyl)-pyrrolidin-2-yl]-propyl}-4,6-dimethyl-pyrimidine
Database identifiers
- PubChem CID
- 22250488
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 704
Experimental & physicochemical properties
Exact Mass467.20427654 Da
Molecular Weight467.6 g/mol
Monoisotopic Mass467.20427654 Da
Compound Is CanonicalizedYes
Related reactions
2 records
Compound notes
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