5-[4-(4-(4-Phenoxyphenyl)piperazin-1-yl)butyryl]2,3,4,5-tetrahydro-1,5-benzoxazepine

HCID 19694232
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Basic information

Standard SMILES
O=C(CCCN1CCN(c2ccc(Oc3ccccc3)cc2)CC1)N1CCCOc2ccccc21
InChIKey
WCUXJFYVMTWFQV-UHFFFAOYSA-N
Molecular formula
C29H33N3O3
Average molar mass
471.6 g/mol

Names & identifiers

Preferred name
5-[4-(4-(4-Phenoxyphenyl)piperazin-1-yl)butyryl]2,3,4,5-tetrahydro-1,5-benzoxazepine
IUPAC
1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-[4-(4-phenoxyphenyl)piperazin-1-yl]butan-1-one

Names & synonyms

SCHEMBL7473510WCUXJFYVMTWFQV-UHFFFAOYSA-N5-[4-(4-(4-phenoxyphenyl)piperazin-1-yl)butyryl]2,3,4,5-tetrahydro-1,5-benzoxazepine

Database identifiers

PubChem CID
19694232

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
45.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
35

Related reactions

2 records
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Compound notes

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