Basic information
- Standard SMILES
N#CCNC(=O)C(CC(=O)N1CCOCC1)CS(=O)(=O)Cc1ccccc1C(F)(F)F- InChIKey
WQGDSLMDJRDOHK-UHFFFAOYSA-N- Molecular formula
- C19H22F3N3O5S
- Average molar mass
- 461.5 g/mol
- Monoisotopic mass
- 461.12322647
Names & identifiers
- Preferred name
- N-cyanomethyl-4-morpholin-4-yl-4-oxo-2-(2-trifluoromethyl-benzyl-sulfonylmethyl)-butyramide
- IUPAC
- N-(cyanomethyl)-4-morpholin-4-yl-4-oxo-2-[[2-(trifluoromethyl)phenyl]methylsulfonylmethyl]butanamide
Names & synonyms
N-cyanomethyl-4-morpholin-4-yl-4-oxo-2-(2-trifluoromethyl-benzyl-sulfonylmethyl)-butyramideSCHEMBL5411972
Database identifiers
- PubChem CID
- 21031064
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 782
Related reactions
1 records
Compound notes
Loading…