1-[2-(2,3,4,5-Tetrahydro-1,4-benzoxazepin-9-yl)phenyl]ethanone

HCID 68577907
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Basic information

Standard SMILES
CC(=O)c1ccccc1-c1cccc2c1OCCNC2
InChIKey
BTKDOKNQAVJADO-UHFFFAOYSA-N
Molecular formula
C17H17NO2
Average molar mass
267.32 g/mol
Monoisotopic mass
267.12592879

Names & identifiers

Preferred name
1-[2-(2,3,4,5-Tetrahydro-1,4-benzoxazepin-9-yl)phenyl]ethanone
IUPAC
1-[2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)phenyl]ethanone

Database identifiers

PubChem CID
68577907

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
20

Related reactions

1 records
New reaction record

Compound notes

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