Basic information
- Standard SMILES
C=CCC1C(=O)Nc2ccc(C(F)(F)F)cc2CC1c1ccccc1OC- InChIKey
FQJPERCFYGYVPT-UHFFFAOYSA-N- Molecular formula
- C21H20F3NO2
- Average molar mass
- 375.4 g/mol
Names & identifiers
- Preferred name
- 1,3,4,5-Tetrahydro-4-(methoxyphenyl)-3-(2-propenyl)-7-(trifluoromethyl)-2H-1-benzazepin-2-one
- IUPAC
- 4-(2-methoxyphenyl)-3-prop-2-enyl-7-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
Names & synonyms
1,3,4,5-Tetrahydro-4-(methoxyphenyl)-3-(2-propenyl)-7-(trifluoromethyl)-2H-1-benzazepin-2-oneSCHEMBL10581879
Database identifiers
- PubChem CID
- 21290542
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 536
Related reactions
2 records
Compound notes
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