Ethyl[7-chloro-1-isobutyl-5-(2-methoxyphenyl)-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]-acetate

HCID 59025486
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Basic information

Standard SMILES
CCOC(=O)CN1CC(c2ccccc2OC)c2cc(Cl)ccc2C(CC(C)C)C1=O
InChIKey
YLTNUNPFRRBZKU-UHFFFAOYSA-N
Molecular formula
C25H30ClNO4
Average molar mass
444 g/mol

Names & identifiers

Preferred name
Ethyl[7-chloro-1-isobutyl-5-(2-methoxyphenyl)-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]-acetate
IUPAC
ethyl 2-[7-chloro-5-(2-methoxyphenyl)-1-(2-methylpropyl)-2-oxo-4,5-dihydro-1H-3-benzazepin-3-yl]acetate

Names & synonyms

SCHEMBL13502246YLTNUNPFRRBZKU-UHFFFAOYSA-NEthyl[7-chloro-1-isobutyl-5-(2-methoxyphenyl)-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]-acetate

Database identifiers

PubChem CID
59025486

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
55.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

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