1,3,4,5-Tetrahydro-3-(methoxycarbonyl)-4-(methoxyphenyl)-3-(2-propenyl)-7-(trifluoromethyl)-2H-1-benzazepin-2-one

HCID 20135113
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Basic information

Standard SMILES
C=CCC1(C(=O)OC)C(=O)Nc2ccc(C(F)(F)F)cc2CC1c1ccccc1OC
InChIKey
PCDWMYMVYYMTIK-UHFFFAOYSA-N
Molecular formula
C23H22F3NO4
Average molar mass
433.4 g/mol

Names & identifiers

Preferred name
1,3,4,5-Tetrahydro-3-(methoxycarbonyl)-4-(methoxyphenyl)-3-(2-propenyl)-7-(trifluoromethyl)-2H-1-benzazepin-2-one
IUPAC
methyl 4-(2-methoxyphenyl)-2-oxo-3-prop-2-enyl-7-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylate

Names & synonyms

1,3,4,5-Tetrahydro-3-(methoxycarbonyl)-4-(methoxyphenyl)-3-(2-propenyl)-7-(trifluoromethyl)-2H-1-benzazepin-2-oneSCHEMBL10613980

Database identifiers

PubChem CID
20135113

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
31

Related reactions

4 records
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Compound notes

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