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Basic information
- Standard SMILES
COC(=O)C1CC(S(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ncccn1- InChIKey
IDMLVYWZURYGGI-UHFFFAOYSA-N- Molecular formula
- C17H16F3N3O4S
- Average molar mass
- 415.4 g/mol
Names & identifiers
- Preferred name
- Methyl 1-pyrimidin-2-yl-4-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate
- IUPAC
- methyl 1-pyrimidin-2-yl-4-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL694573
Database identifiers
- PubChem CID
- 66770366
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 662
Related reactions
2 records
Compound notes
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