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

HCID 19004074
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)N1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
InChIKey
SZKFFGCNEYOCFI-UHFFFAOYSA-N
Molecular formula
C20H20ClN3O3
Average molar mass
385.8 g/mol
Monoisotopic mass
385.1193192

Names & identifiers

Preferred name
Ethyl 4-(2-Chlorodibenz[b,f][1,4]oxazepin-11-yl)-1-piperazinecarboxylic Acid Ester
IUPAC
ethyl 4-(8-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxylate

Names & synonyms

Ethyl 4-(2-Chlorodibenz[b,f][1,4]oxazepin-11-yl)-1-piperazinecarboxylic Acid Ester138246-47-6SCHEMBL5946405SZKFFGCNEYOCFI-UHFFFAOYSA-NEthyl 4-(2-Chlorodibenz[b,f][1,4]oxazepin-11-yl)-1-piperazinecarboxylate

Database identifiers

PubChem CID
19004074

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
54.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
27

Related reactions

1 records
New reaction record

Compound notes

Loading…