Basic information
- Standard SMILES
COC(=O)C1C(=O)Nc2ccc(C(F)(F)F)cc2CC1c1ccccc1OC- InChIKey
UJNSVHQRNZLPOP-UHFFFAOYSA-N- Molecular formula
- C20H18F3NO4
- Average molar mass
- 393.4 g/mol
Names & identifiers
- Preferred name
- 1,3,4,5-Tetrahydro-3-(methoxycarbonyl)-4-(methoxyphenyl)-7-(trifluoromethyl)-2H-1-benzazepin-2-one
- IUPAC
- methyl 4-(2-methoxyphenyl)-2-oxo-7-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate
Names & synonyms
1,3,4,5-Tetrahydro-3-(methoxycarbonyl)-4-(methoxyphenyl)-7-(trifluoromethyl)-2H-1-benzazepin-2-oneSCHEMBL10610404
Database identifiers
- PubChem CID
- 20135095
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 582
Related reactions
3 records
Compound notes
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