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727975-75-9 | 2-(4-Bromo-phenyl)-3-piperazin-1-ylmethyl-benzo[d]imidazo[2,1-b]thiazole
CAS No: 727975-75-9 Catalog No: AG01EX63 MDL No:
Product Description
Catalog Number:
AG01EX63
Chemical Name:
2-(4-Bromo-phenyl)-3-piperazin-1-ylmethyl-benzo[d]imidazo[2,1-b]thiazole
CAS Number:
727975-75-9
Molecular Formula:
C20H19BrN4S
Molecular Weight:
427.3607
IUPAC Name:
2-(4-bromophenyl)-1-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]benzothiazole
InChI:
InChI=1S/C20H19BrN4S/c21-15-7-5-14(6-8-15)19-17(13-24-11-9-22-10-12-24)25-16-3-1-2-4-18(16)26-20(25)23-19/h1-8,22H,9-13H2
InChI Key:
VXPOQGIEGOLYIV-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nc2n(c1CN1CCNCC1)c1c(s2)cccc1
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.051g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.364g/mol
Monoisotopic Mass:
426.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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