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824413-87-8 | 6-(4-Bromo-phenyl)-5-piperazin-1-ylmethyl-imidazo-[2,1-b]thiazole
CAS No: 824413-87-8 Catalog No: AG01EXJY MDL No:
Product Description
Catalog Number:
AG01EXJY
Chemical Name:
6-(4-Bromo-phenyl)-5-piperazin-1-ylmethyl-imidazo-[2,1-b]thiazole
CAS Number:
824413-87-8
Molecular Formula:
C16H17BrN4S
Molecular Weight:
377.3020
IUPAC Name:
6-(4-bromophenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole
InChI:
InChI=1S/C16H17BrN4S/c17-13-3-1-12(2-4-13)15-14(11-20-7-5-18-6-8-20)21-9-10-22-16(21)19-15/h1-4,9-10,18H,5-8,11H2
InChI Key:
OSFIXRXLRLEPRM-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nc2n(c1CN1CCNCC1)ccs2
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.036g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.304g/mol
Monoisotopic Mass:
376.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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