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727975-77-1 | 2-Biphenyl-4-yl-3-piperazin-1-ylmethyl-benzo[d]-imidazo[2,1-b]thiazole
CAS No: 727975-77-1 Catalog No: AG01EX65 MDL No:
Product Description
Catalog Number:
AG01EX65
Chemical Name:
2-Biphenyl-4-yl-3-piperazin-1-ylmethyl-benzo[d]-imidazo[2,1-b]thiazole
CAS Number:
727975-77-1
Molecular Formula:
C26H24N4S
Molecular Weight:
424.5606
IUPAC Name:
2-(4-phenylphenyl)-1-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]benzothiazole
InChI:
InChI=1S/C26H24N4S/c1-2-6-19(7-3-1)20-10-12-21(13-11-20)25-23(18-29-16-14-27-15-17-29)30-22-8-4-5-9-24(22)31-26(30)28-25/h1-13,27H,14-18H2
InChI Key:
DTVFBENNLPAZRA-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)Cc1c(nc2n1c1ccccc1s2)c1ccc(cc1)c1ccccc1
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.172g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
424.566g/mol
Monoisotopic Mass:
424.172g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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