Basic information
- Standard SMILES
C=CCO[C@@H]1CN(C2CCOCC2)C[C@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1- InChIKey
XSVRCTTUNHKLMX-RTBURBONSA-N- Molecular formula
- C22H28F3N3O4
- Average molar mass
- 455.5 g/mol
Names & identifiers
- Preferred name
- Rel-n-(2-{[(3r,4r)-4-(allyloxy)-1-(tetrahydro-2h-pyran-4-yl)pyrrolidin-3-yl]amino}-2-oxoethyl)-3-(trifluoromethyl)benzamide
- IUPAC
- N-[2-[[(3R,4R)-1-(oxan-4-yl)-4-prop-2-enoxypyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Names & synonyms
SCHEMBL1360795XSVRCTTUNHKLMX-RTBURBONSA-Nrel-n-(2-{[(3r,4r)-4-(allyloxy)-1-(tetrahydro-2h-pyran-4-yl)pyrrolidin-3-yl]amino}-2-oxoethyl)-3-(trifluoromethyl)benzamide
Database identifiers
- PubChem CID
- 67005152
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 655
Related reactions
3 records
Compound notes
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