Ethyl 4-(2-Chlorodibenz[b,f][1,4]oxazepin-11-yl)-1-piperazinepropionate

HCID 19004099
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Basic information

Standard SMILES
CCOC(=O)CCN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
InChIKey
KYEARBJOLCNRSK-UHFFFAOYSA-N
Molecular formula
C22H24ClN3O3
Average molar mass
413.9 g/mol
Monoisotopic mass
413.1506193

Names & identifiers

Preferred name
Ethyl 4-(2-Chlorodibenz[b,f][1,4]oxazepin-11-yl)-1-piperazinepropionate
IUPAC
ethyl 3-[4-(8-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]propanoate

Names & synonyms

SCHEMBL5946431KYEARBJOLCNRSK-UHFFFAOYSA-NEthyl 4-(2-Chlorodibenz[b,f][1,4]oxazepin-11-yl)-1-piperazinepropionate

Database identifiers

PubChem CID
19004099
Nikkaji
J503.873A

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
54.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
29

Related reactions

1 records
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Compound notes

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