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111974-74-4 | 11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine dihydrochloride
CAS No: 111974-74-4 Catalog No: AG003AZ3 MDL No:MFCD08703302
Product Description
Catalog Number:
AG003AZ3
Chemical Name:
11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine dihydrochloride
CAS Number:
111974-74-4
Molecular Formula:
C17H19Cl2N3S
Molecular Weight:
368.3239
MDL Number:
MFCD08703302
IUPAC Name:
6-piperazin-1-ylbenzo[b][1,4]benzothiazepine;dihydrochloride
InChI:
InChI=1S/C17H17N3S.2ClH/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15;;/h1-8,18H,9-12H2;2*1H
InChI Key:
PZQCQHZDUIIKFU-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2.Cl.Cl
UNII:
7VJ4TC63IL
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.068g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
368.32g/mol
Monoisotopic Mass:
367.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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