Benzyl 2-[3-(isoquinoline-1-carbonylamino)-2,5-dioxo-3,4-dihydro-1-benzazepin-1-yl]acetate

HCID 18317229
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Basic information

Standard SMILES
O=C(CN1C(=O)C(NC(=O)c2nccc3ccccc23)CC(=O)c2ccccc21)OCc1ccccc1
InChIKey
XXEWJFQUUWJNQD-UHFFFAOYSA-N
Molecular formula
C29H23N3O5
Average molar mass
493.5 g/mol

Names & identifiers

Preferred name
Benzyl 2-[3-(isoquinoline-1-carbonylamino)-2,5-dioxo-3,4-dihydro-1-benzazepin-1-yl]acetate
IUPAC
benzyl 2-[3-(isoquinoline-1-carbonylamino)-2,5-dioxo-3,4-dihydro-1-benzazepin-1-yl]acetate

Names & synonyms

SCHEMBL8520881

Database identifiers

PubChem CID
18317229

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
106 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
37

Related reactions

1 records
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Linked notes

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