[1,1-Dioxo-(3R,4S)-4-[(R)-1-phenyl-ethylamino]-tetrahydrothiophen-3-yl]-[(S)-3-(4-fluoro-benzyl)-piperidin-1-yl]-methanone
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
C[C@@H](N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)c1ccccc1- InChIKey
LJYGTOROPNTCFA-BHLLPTRUSA-N- Molecular formula
- C25H31FN2O3S
- Average molar mass
- 458.6 g/mol
Names & identifiers
- Preferred name
- [1,1-Dioxo-(3R,4S)-4-[(R)-1-phenyl-ethylamino]-tetrahydrothiophen-3-yl]-[(S)-3-(4-fluoro-benzyl)-piperidin-1-yl]-methanone
- IUPAC
- [(3R,4S)-1,1-dioxo-4-[[(1R)-1-phenylethyl]amino]thiolan-3-yl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
Names & synonyms
SCHEMBL6716411LJYGTOROPNTCFA-BHLLPTRUSA-N[1,1-Dioxo-(3R,4S)-4-[(R)-1-phenyl-ethylamino]-tetrahydrothiophen-3-yl]-[(S)-3-(4-fluoro-benzyl)-piperidin-1-yl]-methanone[1,1-dioxo-(3R,4S)-4-[(R)-1-phenyl-ethylamino]-tetrahydrothiophen-3-yl]-[(S)-3-(4-fluorobenzyl)-piperidin-1-yl]-methanone
Database identifiers
- PubChem CID
- 69747758
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 726
Related reactions
4 records
Compound notes
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