5H-Dibenzo[b,e]azepin-6,11-dione - CAS 1143-50-6

Catalog:	BB003389
Product Name:	5H-Dibenzo[b,e]azepin-6,11-dione
CAS:	1143-50-6
Synonyms:	5H-benzo[c][1]benzazepine-6,11-dione; 5H-benzo[c][1]benzazepine-6,11-dione

Technical Data

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Computed Properties

IUPAC Name:	5H-benzo[c][1]benzazepine-6,11-dione
Description:	5H-Dibenzo[b,e]azepin-6,11-dione (CAS# 1143-50-6) is a useful research chemical compound.
Molecular Weight:	223.23
Molecular Formula:	C14H9NO2
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3NC2=O
InChI:	InChI=1S/C14H9NO2/c16-13-9-5-1-2-6-10(9)14(17)15-12-8-4-3-7-11(12)13/h1-8H,(H,15,17)
InChI Key:	USJALFVAJSYMSN-UHFFFAOYSA-N
Boiling Point:	327.3 °C at 760 mmHg
Density:	1.291 g/cm³
Appearance:	Solid
Storage:	Sealed in dry, Room Temperature
LogP:	2.04150

Publication Number	Title	Priority Date
US-2021114989-A1	Piperazine substituted azapine derivatives and uses thereof	20191021
WO-2021080997-A1	3-(4-(11h-dibenzo[b,e][1,4]azepin-6-yl)piperazin-1-yl)- and 3-(4-(dibenzo[b,f][1,4]oxazepin/thiazepin/diazepin-11-yl)piperazin-1-yl)-propano ic acid derivatives as h1 and 5-ht2a-receptor modulators for the treatment of sleep disorders	20191021
US-11046651-B2	Piperazine substituted azapine derivatives and uses thereof	20191021
CN-106543082-B	Preparation method of 5, 11-dihydro-6H-dibenzo [ b, e ] azepine-6 ketone	20161031
CN-105461705-B	Dibenzazepine Zhuo diketone anti-tumor compounds and preparation method thereof	20151130

PMID	Publication Date	Title	Journal
17658776	20070823	Design, synthesis, and biological activity of 5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one-based potent and selective Chk-1 inhibitors	Journal of medicinal chemistry

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Complexity:	339
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.06332853
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.06332853
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3