1,2-bis(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethane tetrahydrochloride


Chemical Name: 1,2-bis(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethane tetrahydrochloride
CAS Number: 1371638-05-9
Product Number: AG0012W2(AGN-PC-0WAHLA)
Synonyms:
MDL No:
Molecular Formula: C40H44N6O2S2
Molecular Weight: 704.9464

Identification/Properties


Computed Properties
Molecular Weight:
850.784g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
11
Exact Mass:
850.2g/mol
Monoisotopic Mass:
848.203g/mol
Topological Polar Surface Area:
107A^2
Heavy Atom Count:
54
Formal Charge:
0
Complexity:
1040
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
5
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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